N-[4-[(1S)-1-(2-methylpropanoylamino)ethyl]phenyl]pyridine-4-carboxamide

C18H21N3O2 — CID 95378036

IUPACN-[4-[(1S)-1-(2-methylpropanoylamino)ethyl]phenyl]pyridine-4-carboxamide
SMILESCC(C)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C18H21N3O2/c1-12(2)17(22)20-13(3)14-4-6-16(7-5-14)21-18(23)15-8-10-19-11-9-15/h4-13H,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyKXUQBHGSTDZYCU-ZDUSSCGKSA-N
MW311.38 g/mol
LogP3.17
Rot. Bonds5

About N-[4-[(1S)-1-(2-methylpropanoylamino)ethyl]phenyl]pyridine-4-carboxamide

N-[4-[(1S)-1-(2-methylpropanoylamino)ethyl]phenyl]pyridine-4-carboxamide (PubChem CID 95378036) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[4-[(1S)-1-(2-methylpropanoylamino)ethyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(1S)-1-(2-methylpropanoylamino)ethyl]phenyl]pyridine-4-carboxamide
PubChem CID95378036
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[4-[(1S)-1-(2-methylpropanoylamino)ethyl]phenyl]pyridine-4-carboxamide
SMILESCC(C)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C18H21N3O2/c1-12(2)17(22)20-13(3)14-4-6-16(7-5-14)21-18(23)15-8-10-19-11-9-15/h4-13H,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyKXUQBHGSTDZYCU-ZDUSSCGKSA-N
XLogP3.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[1-[4-(pyridine-4-carbonylamino)phenyl]ethyl]pyridine-4-carboxamide
CID 119032821
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147
N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 42959631
N-[4-[1-[1-(3-cyanophenyl)ethylamino]ethyl]phenyl]pyridine-4-carboxamide
CID 166200125
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-1-(2-methylpropanoylamino)ethyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[(1S)-1-(2-methylpropanoylamino)ethyl]phenyl]pyridine-4-carboxamide (CID 95378036) is N-[4-[(1S)-1-(2-methylpropanoylamino)ethyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[(1S)-1-(2-methylpropanoylamino)ethyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[(1S)-1-(2-methylpropanoylamino)ethyl]phenyl]pyridine-4-carboxamide is CC(C)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[4-[(1S)-1-(2-methylpropanoylamino)ethyl]phenyl]pyridine-4-carboxamide?
The InChIKey is KXUQBHGSTDZYCU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12(2)17(22)20-13(3)14-4-6-16(7-5-14)21-18(23)15-8-10-19-11-9-15/h4-13H,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1.
What are the key properties of N-[4-[(1S)-1-(2-methylpropanoylamino)ethyl]phenyl]pyridine-4-carboxamide?
N-[4-[(1S)-1-(2-methylpropanoylamino)ethyl]phenyl]pyridine-4-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-1-(2-methylpropanoylamino)ethyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 95378036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).