N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide

C16H16Cl2N2O — CID 7935724

IUPACN-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide
SMILESCC[C@@H](C)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-3-10(2)11-4-6-13(7-5-11)20-16(21)12-8-14(17)15(18)19-9-12/h4-10H,3H2,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyZIVNUFKKOYIVDR-SNVBAGLBSA-N
MW323.22 g/mol
LogP5.15
Rot. Bonds4

About N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide

N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide (PubChem CID 7935724) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide
PubChem CID7935724
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide
SMILESCC[C@@H](C)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-3-10(2)11-4-6-13(7-5-11)20-16(21)12-8-14(17)15(18)19-9-12/h4-10H,3H2,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyZIVNUFKKOYIVDR-SNVBAGLBSA-N
XLogP5.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.22
LogP ≤ 55.15
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-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide
CID 4555488
N-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide
CID 4850845
5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide
CID 60628517
N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide
CID 966188
N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7760364
5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 51985204
5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 2477549
5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide
CID 46799163
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide
CID 114325764
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671
N-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide
CID 7733390

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide (CID 7935724) is N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide is CC[C@@H](C)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide?
The InChIKey is ZIVNUFKKOYIVDR-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-3-10(2)11-4-6-13(7-5-11)20-16(21)12-8-14(17)15(18)19-9-12/h4-10H,3H2,1-2H3,(H,20,21)/t10-/m1/s1.
What are the key properties of N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide?
N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide has a molecular weight of 323.22 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 7935724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).