4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide

C23H25N3O — CID 109213682

IUPAC4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(NCCc2ccccc2)ccn1
InChIInChI=1S/C23H25N3O/c1-17(2)20-10-6-7-11-21(20)26-23(27)22-16-19(13-15-25-22)24-14-12-18-8-4-3-5-9-18/h3-11,13,15-17H,12,14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyLRRIJMSSRGLOKS-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.11
Rot. Bonds7

About 4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide

4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide (PubChem CID 109213682) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
PubChem CID109213682
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(NCCc2ccccc2)ccn1
InChIInChI=1S/C23H25N3O/c1-17(2)20-10-6-7-11-21(20)26-23(27)22-16-19(13-15-25-22)24-14-12-18-8-4-3-5-9-18/h3-11,13,15-17H,12,14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyLRRIJMSSRGLOKS-UHFFFAOYSA-N
XLogP5.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201226
5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109191897
N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213674
4-(2-phenylethylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109213726
N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109210644
N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109203268
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
4-[2-(4-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109214232
N-(4-chlorophenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213688
4-[2-(4-chlorophenyl)ethylamino]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109215473
N-(2-methoxy-5-methylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213702
4-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109213710

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide (CID 109213682) is 4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide is CC(C)c1ccccc1NC(=O)c1cc(NCCc2ccccc2)ccn1.
What is the InChIKey of 4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
The InChIKey is LRRIJMSSRGLOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17(2)20-10-6-7-11-21(20)26-23(27)22-16-19(13-15-25-22)24-14-12-18-8-4-3-5-9-18/h3-11,13,15-17H,12,14H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109213682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).