N-[3-(dimethylcarbamoyl)-5-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]pyridine-2-carboxamide

C25H27FN4O2 — CID 45244425

IUPACN-[3-(dimethylcarbamoyl)-5-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]pyridine-2-carboxamide
SMILESCC(Cc1ccccc1F)NCc1cc(NC(=O)c2ccccn2)cc(C(=O)N(C)C)c1
InChIInChI=1S/C25H27FN4O2/c1-17(12-19-8-4-5-9-22(19)26)28-16-18-13-20(25(32)30(2)3)15-21(14-18)29-24(31)23-10-6-7-11-27-23/h4-11,13-15,17,28H,12,16H2,1-3H3,(H,29,31)
InChIKeyHALFDGHQOHGZNZ-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.90
Rot. Bonds8

About N-[3-(dimethylcarbamoyl)-5-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]pyridine-2-carboxamide

N-[3-(dimethylcarbamoyl)-5-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]pyridine-2-carboxamide (PubChem CID 45244425) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)-5-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)-5-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]pyridine-2-carboxamide
PubChem CID45244425
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC NameN-[3-(dimethylcarbamoyl)-5-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]pyridine-2-carboxamide
SMILESCC(Cc1ccccc1F)NCc1cc(NC(=O)c2ccccn2)cc(C(=O)N(C)C)c1
InChIInChI=1S/C25H27FN4O2/c1-17(12-19-8-4-5-9-22(19)26)28-16-18-13-20(25(32)30(2)3)15-21(14-18)29-24(31)23-10-6-7-11-27-23/h4-11,13-15,17,28H,12,16H2,1-3H3,(H,29,31)
InChIKeyHALFDGHQOHGZNZ-UHFFFAOYSA-N
XLogP3.90
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylcarbamoyl)-5-[(4-phenylbutan-2-ylamino)methyl]phenyl]pyridine-2-carboxamide
CID 45244793
N-[3-(dimethylcarbamoyl)-5-[[(4-ethylphenyl)methylamino]methyl]phenyl]pyridine-2-carboxamide
CID 42440808
N-[3-[[[5-(2-chlorophenyl)furan-2-yl]methylamino]methyl]-5-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 42430841
N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 46415352
N-[3-(aminomethyl)-4-fluorophenyl]pyridine-2-carboxamide
CID 62317302
4-N-[(2-fluorophenyl)methyl]-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109086373
N-[3-(ethylcarbamoyl)-5-[[[(3R)-3-(5-methylfuran-2-yl)butyl]amino]methyl]phenyl]pyridine-2-carboxamide
CID 42382022
N-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine
CID 115592336
1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 115592338
2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109087957
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109086448

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)-5-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)-5-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]pyridine-2-carboxamide (CID 45244425) is N-[3-(dimethylcarbamoyl)-5-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)-5-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)-5-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]pyridine-2-carboxamide is CC(Cc1ccccc1F)NCc1cc(NC(=O)c2ccccn2)cc(C(=O)N(C)C)c1.
What is the InChIKey of N-[3-(dimethylcarbamoyl)-5-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]pyridine-2-carboxamide?
The InChIKey is HALFDGHQOHGZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-17(12-19-8-4-5-9-22(19)26)28-16-18-13-20(25(32)30(2)3)15-21(14-18)29-24(31)23-10-6-7-11-27-23/h4-11,13-15,17,28H,12,16H2,1-3H3,(H,29,31).
What are the key properties of N-[3-(dimethylcarbamoyl)-5-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]pyridine-2-carboxamide?
N-[3-(dimethylcarbamoyl)-5-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]pyridine-2-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)-5-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 45244425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).