2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide

C22H23N3O2 — CID 109169514

IUPAC2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccnc(NCc3ccccc3)c2)c1
InChIInChI=1S/C22H23N3O2/c1-27-20-9-5-8-17(14-20)10-12-24-22(26)19-11-13-23-21(15-19)25-16-18-6-3-2-4-7-18/h2-9,11,13-15H,10,12,16H2,1H3,(H,23,25)(H,24,26)
InChIKeyXKDQRLNZSOTSRA-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.67
Rot. Bonds8

About 2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide

2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 109169514) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID109169514
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccnc(NCc3ccccc3)c2)c1
InChIInChI=1S/C22H23N3O2/c1-27-20-9-5-8-17(14-20)10-12-24-22(26)19-11-13-23-21(15-19)25-16-18-6-3-2-4-7-18/h2-9,11,13-15H,10,12,16H2,1H3,(H,23,25)(H,24,26)
InChIKeyXKDQRLNZSOTSRA-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-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide
CID 109165037
6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109155485
N-[2-(3-methoxyphenyl)ethyl]-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170133
2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109165237
N-(furan-2-ylmethyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109169233
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109088154
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088169
2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172872
2-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109172917
2-hydrazinyl-N-[(3-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 62237337
N-[2-(3-methoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307461
N-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171926

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide (CID 109169514) is 2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide is COc1cccc(CCNC(=O)c2ccnc(NCc3ccccc3)c2)c1.
What is the InChIKey of 2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is XKDQRLNZSOTSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-20-9-5-8-17(14-20)10-12-24-22(26)19-11-13-23-21(15-19)25-16-18-6-3-2-4-7-18/h2-9,11,13-15H,10,12,16H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide?
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-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 2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109169514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).