N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

C20H20N4O2 — CID 109157134

IUPACN-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(NCc2cccnc2)nc1
InChIInChI=1S/C20H20N4O2/c1-26-18-7-3-2-6-16(18)13-24-20(25)17-8-9-19(23-14-17)22-12-15-5-4-10-21-11-15/h2-11,14H,12-13H2,1H3,(H,22,23)(H,24,25)
InChIKeyYJFPYZSGLSTHSM-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.03
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109157134) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
PubChem CID109157134
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(NCc2cccnc2)nc1
InChIInChI=1S/C20H20N4O2/c1-26-18-7-3-2-6-16(18)13-24-20(25)17-8-9-19(23-14-17)22-12-15-5-4-10-21-11-15/h2-11,14H,12-13H2,1H3,(H,22,23)(H,24,25)
InChIKeyYJFPYZSGLSTHSM-UHFFFAOYSA-N
XLogP3.03
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157851
6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156901
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157222
6-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156428
6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109151240
N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157890
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
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190257
4-N-[(2-methoxyphenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860055
6-[(2-methoxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956159
6-(2,5-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157978

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (CID 109157134) is N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is COc1ccccc1CNC(=O)c1ccc(NCc2cccnc2)nc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is YJFPYZSGLSTHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-18-7-3-2-6-16(18)13-24-20(25)17-8-9-19(23-14-17)22-12-15-5-4-10-21-11-15/h2-11,14H,12-13H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109157134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).