6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide

C21H20ClN3O2 — CID 109156901

IUPAC6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C21H20ClN3O2/c1-27-19-5-3-2-4-16(19)13-25-21(26)17-8-11-20(24-14-17)23-12-15-6-9-18(22)10-7-15/h2-11,14H,12-13H2,1H3,(H,23,24)(H,25,26)
InChIKeyYURGCBKNSMELQN-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.29
Rot. Bonds7

About 6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide

6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109156901) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID109156901
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C21H20ClN3O2/c1-27-19-5-3-2-4-16(19)13-25-21(26)17-8-11-20(24-14-17)23-12-15-6-9-18(22)10-7-15/h2-11,14H,12-13H2,1H3,(H,23,24)(H,25,26)
InChIKeyYURGCBKNSMELQN-UHFFFAOYSA-N
XLogP4.29
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156428
N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157134
6-[2-(3-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157157
6-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157138
6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109151240
N-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109170859
6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157181
N-[(2-fluorophenyl)methyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156514
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109156907
2-(4-chloroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257832
methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate
CID 146669717
5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine
CID 28548307

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 109156901) is 6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccccc1CNC(=O)c1ccc(NCc2ccc(Cl)cc2)nc1.
What is the InChIKey of 6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is YURGCBKNSMELQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-27-19-5-3-2-4-16(19)13-25-21(26)17-8-11-20(24-14-17)23-12-15-6-9-18(22)10-7-15/h2-11,14H,12-13H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109156901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).