6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide

C22H23N3O2 — CID 109155485

IUPAC6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(NCc3ccccc3)nc2)c1
InChIInChI=1S/C22H23N3O2/c1-27-20-9-5-8-17(14-20)12-13-23-22(26)19-10-11-21(25-16-19)24-15-18-6-3-2-4-7-18/h2-11,14,16H,12-13,15H2,1H3,(H,23,26)(H,24,25)
InChIKeyYJVJUJZNYDQRTH-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.67
Rot. Bonds8

About 6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide

6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 109155485) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID109155485
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(NCc3ccccc3)nc2)c1
InChIInChI=1S/C22H23N3O2/c1-27-20-9-5-8-17(14-20)12-13-23-22(26)19-10-11-21(25-16-19)24-15-18-6-3-2-4-7-18/h2-11,14,16H,12-13,15H2,1H3,(H,23,26)(H,24,25)
InChIKeyYJVJUJZNYDQRTH-UHFFFAOYSA-N
XLogP3.67
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109169514
N-[2-(4-methoxyphenyl)ethyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155812
6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109158959
N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109158018
N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109156352
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1447920
5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109281680
6-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109158925
6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160850
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
N-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157277
6-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109158969

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide (CID 109155485) is 6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide is COc1cccc(CCNC(=O)c2ccc(NCc3ccccc3)nc2)c1.
What is the InChIKey of 6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is YJVJUJZNYDQRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-20-9-5-8-17(14-20)12-13-23-22(26)19-10-11-21(25-16-19)24-15-18-6-3-2-4-7-18/h2-11,14,16H,12-13,15H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide?
6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109155485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).