N-(2-amino-2-phenylethyl)-2-(propan-2-ylamino)pyridine-3-carboxamide

C17H22N4O — CID 119527886

IUPACN-(2-amino-2-phenylethyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ncccc1C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C17H22N4O/c1-12(2)21-16-14(9-6-10-19-16)17(22)20-11-15(18)13-7-4-3-5-8-13/h3-10,12,15H,11,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGSBNWPWPMKSJNJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.33
Rot. Bonds6

About N-(2-amino-2-phenylethyl)-2-(propan-2-ylamino)pyridine-3-carboxamide

N-(2-amino-2-phenylethyl)-2-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 119527886) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID119527886
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(2-amino-2-phenylethyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ncccc1C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C17H22N4O/c1-12(2)21-16-14(9-6-10-19-16)17(22)20-11-15(18)13-7-4-3-5-8-13/h3-10,12,15H,11,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGSBNWPWPMKSJNJ-UHFFFAOYSA-N
XLogP2.33
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111661954
N-(2-amino-2-phenylethyl)-3-methylpyridine-2-carboxamide
CID 55176966
N-(2-hydroxy-2,3-dimethylbutyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111483935
N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide
CID 79217268
2-acetyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 119525343
3-amino-N-(2-phenylpropyl)pyridine-2-carboxamide
CID 104742039
N-[(2-hydroxycyclopentyl)methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111540624
N-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 119528766
2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986832
N-(2-amino-2-phenylethyl)-2-nitrobenzamide
CID 63120393
N-(2-amino-2-phenylethyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671379
N-cyclohexyl-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 44761338

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-(propan-2-ylamino)pyridine-3-carboxamide (CID 119527886) is N-(2-amino-2-phenylethyl)-2-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1ncccc1C(=O)NCC(N)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is GSBNWPWPMKSJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(2)21-16-14(9-6-10-19-16)17(22)20-11-15(18)13-7-4-3-5-8-13/h3-10,12,15H,11,18H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-amino-2-phenylethyl)-2-(propan-2-ylamino)pyridine-3-carboxamide?
N-(2-amino-2-phenylethyl)-2-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 119527886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).