4-chloro-2-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridine-3-carboxamide;4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxypropylamino)pyridine-3-carboxamide;ethane

C39H50Cl2F2N6O5 — CID 144727907

IUPAC4-chloro-2-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridine-3-carboxamide;4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxypropylamino)pyridine-3-carboxamide;ethane
SMILESCC.CC.COc1ccc(CNC(=O)c2c(Cl)ccnc2NCC(C)O)cc1F.COc1ccc(CNC(=O)c2c(Cl)ccnc2NCC2CC2)cc1F
InChIInChI=1S/C18H19ClFN3O2.C17H19ClFN3O3.2C2H6/c1-25-15-5-4-12(8-14(15)20)10-23-18(24)16-13(19)6-7-21-17(16)22-9-11-2-3-11;1-10(23)8-21-16-15(12(18)5-6-20-16)17(24)22-9-11-3-4-14(25-2)13(19)7-11;2*1-2/h4-8,11H,2-3,9-10H2,1H3,(H,21,22)(H,23,24);3-7,10,23H,8-9H2,1-2H3,(H,20,21)(H,22,24);2*1-2H3
InChIKeyAGMZWQZQVGZLPR-UHFFFAOYSA-N
MW791.77 g/mol
LogP8.29
Rot. Bonds14

About 4-chloro-2-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridine-3-carboxamide;4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxypropylamino)pyridine-3-carboxamide;ethane

4-chloro-2-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridine-3-carboxamide;4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxypropylamino)pyridine-3-carboxamide;ethane (PubChem CID 144727907) has the molecular formula C39H50Cl2F2N6O5 and a molecular weight of 791.77 g/mol. Its IUPAC name is 4-chloro-2-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridine-3-carboxamide;4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxypropylamino)pyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name4-chloro-2-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridine-3-carboxamide;4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxypropylamino)pyridine-3-carboxamide;ethane
PubChem CID144727907
Molecular FormulaC39H50Cl2F2N6O5
Molecular Weight791.77 g/mol
Exact Mass790.32
IUPAC Name4-chloro-2-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridine-3-carboxamide;4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxypropylamino)pyridine-3-carboxamide;ethane
SMILESCC.CC.COc1ccc(CNC(=O)c2c(Cl)ccnc2NCC(C)O)cc1F.COc1ccc(CNC(=O)c2c(Cl)ccnc2NCC2CC2)cc1F
InChIInChI=1S/C18H19ClFN3O2.C17H19ClFN3O3.2C2H6/c1-25-15-5-4-12(8-14(15)20)10-23-18(24)16-13(19)6-7-21-17(16)22-9-11-2-3-11;1-10(23)8-21-16-15(12(18)5-6-20-16)17(24)22-9-11-3-4-14(25-2)13(19)7-11;2*1-2/h4-8,11H,2-3,9-10H2,1H3,(H,21,22)(H,23,24);3-7,10,23H,8-9H2,1-2H3,(H,20,21)(H,22,24);2*1-2H3
InChIKeyAGMZWQZQVGZLPR-UHFFFAOYSA-N
XLogP8.29
TPSA146.73 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.77
LogP ≤ 58.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 4-chloro-2-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridine-3-carboxamide;4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxypropylamino)pyridine-3-carboxamide;ethane with MolForge

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Related Compounds

2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 86297315
4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropoxy)pyridine-3-carboxamide
CID 86295295
3-[[(2S)-2-amino-3-hydroxypropyl]amino]-6-chloro-2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 169102738
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide
CID 86297319
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide
CID 144727901
2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 86296544
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
3-[(4-acetylcyclohexyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide
CID 59461416
N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 82133842
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide
CID 86297131
2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane
CID 144727883
N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784344

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridine-3-carboxamide;4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxypropylamino)pyridine-3-carboxamide;ethane?
The IUPAC name of 4-chloro-2-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridine-3-carboxamide;4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxypropylamino)pyridine-3-carboxamide;ethane (CID 144727907) is 4-chloro-2-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridine-3-carboxamide;4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxypropylamino)pyridine-3-carboxamide;ethane.
What is the SMILES notation for 4-chloro-2-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridine-3-carboxamide;4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxypropylamino)pyridine-3-carboxamide;ethane?
The canonical SMILES for 4-chloro-2-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridine-3-carboxamide;4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxypropylamino)pyridine-3-carboxamide;ethane is CC.CC.COc1ccc(CNC(=O)c2c(Cl)ccnc2NCC(C)O)cc1F.COc1ccc(CNC(=O)c2c(Cl)ccnc2NCC2CC2)cc1F.
What is the InChIKey of 4-chloro-2-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridine-3-carboxamide;4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxypropylamino)pyridine-3-carboxamide;ethane?
The InChIKey is AGMZWQZQVGZLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2.C17H19ClFN3O3.2C2H6/c1-25-15-5-4-12(8-14(15)20)10-23-18(24)16-13(19)6-7-21-17(16)22-9-11-2-3-11;1-10(23)8-21-16-15(12(18)5-6-20-16)17(24)22-9-11-3-4-14(25-2)13(19)7-11;2*1-2/h4-8,11H,2-3,9-10H2,1H3,(H,21,22)(H,23,24);3-7,10,23H,8-9H2,1-2H3,(H,20,21)(H,22,24);2*1-2H3.
What are the key properties of 4-chloro-2-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridine-3-carboxamide;4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxypropylamino)pyridine-3-carboxamide;ethane?
4-chloro-2-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridine-3-carboxamide;4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxypropylamino)pyridine-3-carboxamide;ethane has a molecular weight of 791.77 g/mol, XLogP of 8.29, 14 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridine-3-carboxamide;4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxypropylamino)pyridine-3-carboxamide;ethane is sourced from PubChem (CID 144727907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).