N-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide

C18H23N3O2 — CID 111661954

IUPACN-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ncccc1C(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C18H23N3O2/c1-13(2)21-17-15(9-6-11-19-17)18(23)20-12-10-16(22)14-7-4-3-5-8-14/h3-9,11,13,16,22H,10,12H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyYFLZXRNSUBQARU-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.76
Rot. Bonds7

About N-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide

N-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 111661954) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID111661954
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ncccc1C(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C18H23N3O2/c1-13(2)21-17-15(9-6-11-19-17)18(23)20-12-10-16(22)14-7-4-3-5-8-14/h3-9,11,13,16,22H,10,12H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyYFLZXRNSUBQARU-UHFFFAOYSA-N
XLogP2.76
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-phenylethyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 119527886
2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986832
N-(3,3-diphenylpropyl)-2-methylpyridine-3-carboxamide
CID 11976200
N-(2-hydroxy-2,3-dimethylbutyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111483935
N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide
CID 95787778
N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide
CID 97038566
N-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 129316266
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
3-bromo-N-(3-hydroxy-3-phenylpropyl)-2-methylbenzamide
CID 111471803
N-cyclohexyl-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 44761338
N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 111471949
2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide
CID 111472064

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide (CID 111661954) is N-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1ncccc1C(=O)NCCC(O)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is YFLZXRNSUBQARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(2)21-17-15(9-6-11-19-17)18(23)20-12-10-16(22)14-7-4-3-5-8-14/h3-9,11,13,16,22H,10,12H2,1-2H3,(H,19,21)(H,20,23).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide?
N-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 111661954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).