N-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide

C22H23N3O2 — CID 109210831

IUPACN-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(NC(C)c3ccccc3)ccn2)cc1
InChIInChI=1S/C22H23N3O2/c1-3-27-20-11-9-18(10-12-20)25-22(26)21-15-19(13-14-23-21)24-16(2)17-7-5-4-6-8-17/h4-16H,3H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyZGTPDRQBVSVLPS-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.91
Rot. Bonds7

About N-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide

N-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide (PubChem CID 109210831) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
PubChem CID109210831
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(NC(C)c3ccccc3)ccn2)cc1
InChIInChI=1S/C22H23N3O2/c1-3-27-20-11-9-18(10-12-20)25-22(26)21-15-19(13-14-23-21)24-16(2)17-7-5-4-6-8-17/h4-16H,3H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyZGTPDRQBVSVLPS-UHFFFAOYSA-N
XLogP4.91
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210842
N-(4-ethoxyphenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109220430
N-(4-phenoxyphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201642
N-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210807
N-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210797
4-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109217259
N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210827
4-(butan-2-ylamino)-N-phenylpyridine-2-carboxamide
CID 109203508
2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078141
4-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]pyridine-2-carboxamide
CID 124574045
4-(3,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109219903
4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109221380

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide (CID 109210831) is N-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide is CCOc1ccc(NC(=O)c2cc(NC(C)c3ccccc3)ccn2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide?
The InChIKey is ZGTPDRQBVSVLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-27-20-11-9-18(10-12-20)25-22(26)21-15-19(13-14-23-21)24-16(2)17-7-5-4-6-8-17/h4-16H,3H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide?
N-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109210831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).