N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide

C17H21N3O — CID 44764076

IUPACN-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ccc(C(=O)NCCc2ccccc2)cn1
InChIInChI=1S/C17H21N3O/c1-13(2)20-16-9-8-15(12-19-16)17(21)18-11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyKZPVCPLZDURMFB-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.87
Rot. Bonds6

About N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide

N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 44764076) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID44764076
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ccc(C(=O)NCCc2ccccc2)cn1
InChIInChI=1S/C17H21N3O/c1-13(2)20-16-9-8-15(12-19-16)17(21)18-11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyKZPVCPLZDURMFB-UHFFFAOYSA-N
XLogP2.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764093
N-[2-(4-methoxyphenyl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 84570795
N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 146091348
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304
6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1441265
6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158309
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158292
N-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764046
N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109158018
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109154394

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide (CID 44764076) is N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1ccc(C(=O)NCCc2ccccc2)cn1.
What is the InChIKey of N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is KZPVCPLZDURMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(2)20-16-9-8-15(12-19-16)17(21)18-11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide?
N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 44764076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).