N-[(2-amino-3-pyridinyl)methyl]-2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methyl-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide

C65H68F3N13O7 — CID 167572129

IUPACN-[(2-amino-3-pyridinyl)methyl]-2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methyl-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide
SMILESCCC(=O)N(C)c1ccc(C2=NC(C(=O)NCc3cccnc3C)=CC2)cc1F.CCC(=O)N(C)c1ccc(C2=NC(C(=O)NCc3cccnc3N)=CC2)cc1F.CCC(=O)N(C)c1ccc(C2=NC(C(=O)NCc3cccnc3OC)=CC2)cc1F
InChIInChI=1S/C22H23FN4O3.C22H23FN4O2.C21H22FN5O2/c1-4-20(28)27(2)19-10-7-14(12-16(19)23)17-8-9-18(26-17)21(29)25-13-15-6-5-11-24-22(15)30-3;1-4-21(28)27(3)20-10-7-15(12-17(20)23)18-8-9-19(26-18)22(29)25-13-16-6-5-11-24-14(16)2;1-3-19(28)27(2)18-9-6-13(11-15(18)22)16-7-8-17(26-16)21(29)25-12-14-5-4-10-24-20(14)23/h5-7,9-12H,4,8,13H2,1-3H3,(H,25,29);5-7,9-12H,4,8,13H2,1-3H3,(H,25,29);4-6,8-11H,3,7,12H2,1-2H3,(H2,23,24)(H,25,29)
InChIKeyGAUXXKRXIKDVFY-UHFFFAOYSA-N
MW1200.34 g/mol
LogP8.86
Rot. Bonds19

About N-[(2-amino-3-pyridinyl)methyl]-2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methyl-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide

N-[(2-amino-3-pyridinyl)methyl]-2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methyl-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide (PubChem CID 167572129) has the molecular formula C65H68F3N13O7 and a molecular weight of 1200.34 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)methyl]-2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methyl-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-3-pyridinyl)methyl]-2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methyl-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide
PubChem CID167572129
Molecular FormulaC65H68F3N13O7
Molecular Weight1200.34 g/mol
Exact Mass1199.53
IUPAC NameN-[(2-amino-3-pyridinyl)methyl]-2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methyl-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide
SMILESCCC(=O)N(C)c1ccc(C2=NC(C(=O)NCc3cccnc3C)=CC2)cc1F.CCC(=O)N(C)c1ccc(C2=NC(C(=O)NCc3cccnc3N)=CC2)cc1F.CCC(=O)N(C)c1ccc(C2=NC(C(=O)NCc3cccnc3OC)=CC2)cc1F
InChIInChI=1S/C22H23FN4O3.C22H23FN4O2.C21H22FN5O2/c1-4-20(28)27(2)19-10-7-14(12-16(19)23)17-8-9-18(26-17)21(29)25-13-15-6-5-11-24-22(15)30-3;1-4-21(28)27(3)20-10-7-15(12-17(20)23)18-8-9-19(26-18)22(29)25-13-16-6-5-11-24-14(16)2;1-3-19(28)27(2)18-9-6-13(11-15(18)22)16-7-8-17(26-16)21(29)25-12-14-5-4-10-24-20(14)23/h5-7,9-12H,4,8,13H2,1-3H3,(H,25,29);5-7,9-12H,4,8,13H2,1-3H3,(H,25,29);4-6,8-11H,3,7,12H2,1-2H3,(H2,23,24)(H,25,29)
InChIKeyGAUXXKRXIKDVFY-UHFFFAOYSA-N
XLogP8.86
TPSA259.23 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001200.34
LogP ≤ 58.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze N-[(2-amino-3-pyridinyl)methyl]-2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methyl-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide with MolForge

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Related Compounds

N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]-2-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]-2-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[2-methyl-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167663575
2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-oxazole-5-carboxamide
CID 165379473
3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 103907640
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958
3-(diethylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533714
4-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrrole-3-carboxamide
CID 71929536
3-(azepan-1-ylsulfonyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533968
2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 66843496
5-(ethylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbenzamide
CID 37485846
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 37486420
N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]propanamide
CID 167587623
2,4-dimethoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533824

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)methyl]-2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methyl-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide?
The IUPAC name of N-[(2-amino-3-pyridinyl)methyl]-2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methyl-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide (CID 167572129) is N-[(2-amino-3-pyridinyl)methyl]-2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methyl-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide.
What is the SMILES notation for N-[(2-amino-3-pyridinyl)methyl]-2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methyl-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide?
The canonical SMILES for N-[(2-amino-3-pyridinyl)methyl]-2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methyl-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide is CCC(=O)N(C)c1ccc(C2=NC(C(=O)NCc3cccnc3C)=CC2)cc1F.CCC(=O)N(C)c1ccc(C2=NC(C(=O)NCc3cccnc3N)=CC2)cc1F.CCC(=O)N(C)c1ccc(C2=NC(C(=O)NCc3cccnc3OC)=CC2)cc1F.
What is the InChIKey of N-[(2-amino-3-pyridinyl)methyl]-2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methyl-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide?
The InChIKey is GAUXXKRXIKDVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3.C22H23FN4O2.C21H22FN5O2/c1-4-20(28)27(2)19-10-7-14(12-16(19)23)17-8-9-18(26-17)21(29)25-13-15-6-5-11-24-22(15)30-3;1-4-21(28)27(3)20-10-7-15(12-17(20)23)18-8-9-19(26-18)22(29)25-13-16-6-5-11-24-14(16)2;1-3-19(28)27(2)18-9-6-13(11-15(18)22)16-7-8-17(26-16)21(29)25-12-14-5-4-10-24-20(14)23/h5-7,9-12H,4,8,13H2,1-3H3,(H,25,29);5-7,9-12H,4,8,13H2,1-3H3,(H,25,29);4-6,8-11H,3,7,12H2,1-2H3,(H2,23,24)(H,25,29).
What are the key properties of N-[(2-amino-3-pyridinyl)methyl]-2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methyl-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide?
N-[(2-amino-3-pyridinyl)methyl]-2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methyl-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide has a molecular weight of 1200.34 g/mol, XLogP of 8.86, 19 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-pyridinyl)methyl]-2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methyl-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide is sourced from PubChem (CID 167572129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).