6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C20H20N4O2 — CID 109157222

IUPAC6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)NCc3cccnc3)cn2)cc1
InChIInChI=1S/C20H20N4O2/c1-26-18-7-4-15(5-8-18)12-22-19-9-6-17(14-23-19)20(25)24-13-16-3-2-10-21-11-16/h2-11,14H,12-13H2,1H3,(H,22,23)(H,24,25)
InChIKeyNCIDAKQGEUNAIP-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.03
Rot. Bonds7

About 6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 109157222) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID109157222
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)NCc3cccnc3)cn2)cc1
InChIInChI=1S/C20H20N4O2/c1-26-18-7-4-15(5-8-18)12-22-19-9-6-17(14-23-19)20(25)24-13-16-3-2-10-21-11-16/h2-11,14H,12-13H2,1H3,(H,22,23)(H,24,25)
InChIKeyNCIDAKQGEUNAIP-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
N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157134
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109120160
6-(2,5-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157978
6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158114
N-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157277
N-[2-(4-methoxyphenoxy)ethyl]-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155978
6-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157940
N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157890
6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109155485
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157895

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 109157222) is 6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is COc1ccc(CNc2ccc(C(=O)NCc3cccnc3)cn2)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is NCIDAKQGEUNAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-18-7-4-15(5-8-18)12-22-19-9-6-17(14-23-19)20(25)24-13-16-3-2-10-21-11-16/h2-11,14H,12-13H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)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 6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109157222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).