N-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide

C17H20N2O2 — CID 97247823

IUPACN-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)N[C@@H](CCCO)c2ccccc2)c1
InChIInChI=1S/C17H20N2O2/c1-13-10-15(12-18-11-13)17(21)19-16(8-5-9-20)14-6-3-2-4-7-14/h2-4,6-7,10-12,16,20H,5,8-9H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyLVVIPYDCYWDWSY-INIZCTEOSA-N
MW284.36 g/mol
LogP2.63
Rot. Bonds6

About N-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide

N-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide (PubChem CID 97247823) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide
PubChem CID97247823
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)N[C@@H](CCCO)c2ccccc2)c1
InChIInChI=1S/C17H20N2O2/c1-13-10-15(12-18-11-13)17(21)19-16(8-5-9-20)14-6-3-2-4-7-14/h2-4,6-7,10-12,16,20H,5,8-9H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyLVVIPYDCYWDWSY-INIZCTEOSA-N
XLogP2.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide
CID 113274774
3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide
CID 75393333
N-(1-phenylheptyl)pyridine-3-carboxamide
CID 54544628
N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide
CID 97247851
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
5-bromo-N-[(1R)-3-methyl-1-phenylbutyl]pyridine-3-carboxamide
CID 27853245
3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide
CID 110004090
1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea
CID 111450237
3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide
CID 107861785
N-but-3-yn-2-yl-5-methylpyridine-3-carboxamide
CID 114390011
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide
CID 164641680

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide (CID 97247823) is N-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)N[C@@H](CCCO)c2ccccc2)c1.
What is the InChIKey of N-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide?
The InChIKey is LVVIPYDCYWDWSY-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-10-15(12-18-11-13)17(21)19-16(8-5-9-20)14-6-3-2-4-7-14/h2-4,6-7,10-12,16,20H,5,8-9H2,1H3,(H,19,21)/t16-/m0/s1.
What are the key properties of N-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide?
N-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 97247823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).