N-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C21H22N4O2 — CID 109235637

IUPACN-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cncc(NCc3ccncc3)c2)c1
InChIInChI=1S/C21H22N4O2/c1-27-20-4-2-3-16(11-20)7-10-24-21(26)18-12-19(15-23-14-18)25-13-17-5-8-22-9-6-17/h2-6,8-9,11-12,14-15,25H,7,10,13H2,1H3,(H,24,26)
InChIKeyRKNZIHGPNGOLQF-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.07
Rot. Bonds8

About N-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109235637) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID109235637
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cncc(NCc3ccncc3)c2)c1
InChIInChI=1S/C21H22N4O2/c1-27-20-4-2-3-16(11-20)7-10-24-21(26)18-12-19(15-23-14-18)25-13-17-5-8-22-9-6-17/h2-6,8-9,11-12,14-15,25H,7,10,13H2,1H3,(H,24,26)
InChIKeyRKNZIHGPNGOLQF-UHFFFAOYSA-N
XLogP3.07
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(3-methoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235779
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232100
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235646
N-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide
CID 109236721
N-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109236720
5-[2-(3-methoxyphenyl)ethylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228038
5-[(4-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109234472
5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231885
5-N-tert-butyl-3-N-[2-(3-methoxyphenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106409
5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47041883
N-[2-(3-methoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307461
N-(3-acetylphenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236828

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 109235637) is N-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is COc1cccc(CCNC(=O)c2cncc(NCc3ccncc3)c2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is RKNZIHGPNGOLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-20-4-2-3-16(11-20)7-10-24-21(26)18-12-19(15-23-14-18)25-13-17-5-8-22-9-6-17/h2-6,8-9,11-12,14-15,25H,7,10,13H2,1H3,(H,24,26).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109235637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).