N-[(2R)-butan-2-yl]-N-cyclohepta-2,4,6-trien-1-ylpyridine-2-carboxamide

C17H20N2O — CID 138979239

IUPACN-[(2R)-butan-2-yl]-N-cyclohepta-2,4,6-trien-1-ylpyridine-2-carboxamide
SMILESCC[C@@H](C)N(C(=O)c1ccccn1)C1C=CC=CC=C1
InChIInChI=1S/C17H20N2O/c1-3-14(2)19(15-10-6-4-5-7-11-15)17(20)16-12-8-9-13-18-16/h4-15H,3H2,1-2H3/t14-/m1/s1
InChIKeyHUMNIBZXPBXSSW-CQSZACIVSA-N
MW268.36 g/mol
LogP3.37
Rot. Bonds4

About N-[(2R)-butan-2-yl]-N-cyclohepta-2,4,6-trien-1-ylpyridine-2-carboxamide

N-[(2R)-butan-2-yl]-N-cyclohepta-2,4,6-trien-1-ylpyridine-2-carboxamide (PubChem CID 138979239) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-N-cyclohepta-2,4,6-trien-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-N-cyclohepta-2,4,6-trien-1-ylpyridine-2-carboxamide
PubChem CID138979239
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[(2R)-butan-2-yl]-N-cyclohepta-2,4,6-trien-1-ylpyridine-2-carboxamide
SMILESCC[C@@H](C)N(C(=O)c1ccccn1)C1C=CC=CC=C1
InChIInChI=1S/C17H20N2O/c1-3-14(2)19(15-10-6-4-5-7-11-15)17(20)16-12-8-9-13-18-16/h4-15H,3H2,1-2H3/t14-/m1/s1
InChIKeyHUMNIBZXPBXSSW-CQSZACIVSA-N
XLogP3.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(2R)-butan-2-yl]-N-cyclohepta-2,4,6-trien-1-ylpyridine-2-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-(2-chloropropyl)-N-methylpyridine-2-carboxamide
CID 63393519
N-methyl-N-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]pyridine-2-carboxamide
CID 86031517
N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide
CID 42942380
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
N-methylpyridine-2-carbohydrazide
CID 45084309
butane;ethane;1-pyridin-2-ylpropan-1-one
CID 144892300
ethyl 3-hydroxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate
CID 88995509
methyl 2-[methyl(pyridine-2-carbonyl)amino]acetate
CID 43407333
N-[2-(3,4-dichlorophenyl)butyl]-N-methylpyridine-2-carboxamide
CID 91216734
N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide
CID 50971930
1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
CID 89479479
N'-phenyl-N-propan-2-ylpyridine-2-carbohydrazide
CID 171975363

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-N-cyclohepta-2,4,6-trien-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-N-cyclohepta-2,4,6-trien-1-ylpyridine-2-carboxamide (CID 138979239) is N-[(2R)-butan-2-yl]-N-cyclohepta-2,4,6-trien-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-N-cyclohepta-2,4,6-trien-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-N-cyclohepta-2,4,6-trien-1-ylpyridine-2-carboxamide is CC[C@@H](C)N(C(=O)c1ccccn1)C1C=CC=CC=C1.
What is the InChIKey of N-[(2R)-butan-2-yl]-N-cyclohepta-2,4,6-trien-1-ylpyridine-2-carboxamide?
The InChIKey is HUMNIBZXPBXSSW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-14(2)19(15-10-6-4-5-7-11-15)17(20)16-12-8-9-13-18-16/h4-15H,3H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-N-cyclohepta-2,4,6-trien-1-ylpyridine-2-carboxamide?
N-[(2R)-butan-2-yl]-N-cyclohepta-2,4,6-trien-1-ylpyridine-2-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-N-cyclohepta-2,4,6-trien-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 138979239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).