N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide

C16H17ClN2O — CID 4555488

IUPACN-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H17ClN2O/c1-3-11(2)12-4-7-14(8-5-12)19-16(20)13-6-9-15(17)18-10-13/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyNSTBHNKBSSJYBA-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.50
Rot. Bonds4

About N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide

N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide (PubChem CID 4555488) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide
PubChem CID4555488
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H17ClN2O/c1-3-11(2)12-4-7-14(8-5-12)19-16(20)13-6-9-15(17)18-10-13/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyNSTBHNKBSSJYBA-UHFFFAOYSA-N
XLogP4.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide
CID 87629972
N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide
CID 7935724
[(2R)-1-[4-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate
CID 2651649
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
N-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide
CID 4850845
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671
6-chloro-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]pyridine-3-carboxamide
CID 95157187
4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide
CID 43702118
6-(ethylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 62171187
5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide
CID 60628517
N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide
CID 23966812
6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide
CID 2547899

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide (CID 4555488) is N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide is CCC(C)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide?
The InChIKey is NSTBHNKBSSJYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-3-11(2)12-4-7-14(8-5-12)19-16(20)13-6-9-15(17)18-10-13/h4-11H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide?
N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide has a molecular weight of 288.78 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide is sourced from PubChem (CID 4555488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).