N-(1-hydroxybutan-2-yl)-1-methyl-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C17H21N3O3 — CID 77094216

IUPACN-(1-hydroxybutan-2-yl)-1-methyl-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCCC(CO)N(Cc1ccncc1)C(=O)c1cccn(C)c1=O
InChIInChI=1S/C17H21N3O3/c1-3-14(12-21)20(11-13-6-8-18-9-7-13)17(23)15-5-4-10-19(2)16(15)22/h4-10,14,21H,3,11-12H2,1-2H3
InChIKeyAXXRNBDZEZZEHF-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.19
Rot. Bonds6

About N-(1-hydroxybutan-2-yl)-1-methyl-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

N-(1-hydroxybutan-2-yl)-1-methyl-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 77094216) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-1-methyl-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-1-methyl-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID77094216
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(1-hydroxybutan-2-yl)-1-methyl-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCCC(CO)N(Cc1ccncc1)C(=O)c1cccn(C)c1=O
InChIInChI=1S/C17H21N3O3/c1-3-14(12-21)20(11-13-6-8-18-9-7-13)17(23)15-5-4-10-19(2)16(15)22/h4-10,14,21H,3,11-12H2,1-2H3
InChIKeyAXXRNBDZEZZEHF-UHFFFAOYSA-N
XLogP1.19
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-hydroxybutan-2-yl)-1-methyl-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide
CID 50983418
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
CID 146086977
2-[(2S)-2-[carboxy(pyridin-4-ylmethyl)amino]propyl]benzoic acid
CID 67083610
1-methyl-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide
CID 71797491
3-acetyl-1-methylpyridin-2-one
CID 82527252
N-(1-hydroxybutan-2-yl)-2-propyl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide
CID 50973233
N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide
CID 46993383
3-fluoro-N-(1-hydroxybutan-2-yl)-8-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 46984966
3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
CID 110692777
N-(1-hydroxybutan-2-yl)-3-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 46986681
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide
CID 45235611
N-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 95046623

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-1-methyl-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-1-methyl-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 77094216) is N-(1-hydroxybutan-2-yl)-1-methyl-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-1-methyl-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-1-methyl-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is CCC(CO)N(Cc1ccncc1)C(=O)c1cccn(C)c1=O.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-1-methyl-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is AXXRNBDZEZZEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-14(12-21)20(11-13-6-8-18-9-7-13)17(23)15-5-4-10-19(2)16(15)22/h4-10,14,21H,3,11-12H2,1-2H3.
What are the key properties of N-(1-hydroxybutan-2-yl)-1-methyl-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
N-(1-hydroxybutan-2-yl)-1-methyl-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-1-methyl-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 77094216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).