propan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate

C16H15ClN2O3 — CID 5042562

IUPACpropan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cccc(C(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C16H15ClN2O3/c1-10(2)22-16(21)14-8-4-7-13(19-14)15(20)18-12-6-3-5-11(17)9-12/h3-10H,1-2H3,(H,18,20)
InChIKeyNEASDYWXQCVVET-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.55
Rot. Bonds4

About propan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate

propan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate (PubChem CID 5042562) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is propan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate
PubChem CID5042562
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Namepropan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cccc(C(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C16H15ClN2O3/c1-10(2)22-16(21)14-8-4-7-13(19-14)15(20)18-12-6-3-5-11(17)9-12/h3-10H,1-2H3,(H,18,20)
InChIKeyNEASDYWXQCVVET-UHFFFAOYSA-N
XLogP3.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate
CID 3926848
2-N-(3-chlorophenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093921
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397
N-(3-chlorophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62238582
6-N-(3-chlorophenyl)-2-N-(4-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100845
2-N-(3-chlorophenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095035
2-N-(3,4-difluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093804
N-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244989
N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
CID 50779956

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate?
The IUPAC name of propan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate (CID 5042562) is propan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate is CC(C)OC(=O)c1cccc(C(=O)Nc2cccc(Cl)c2)n1.
What is the InChIKey of propan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate?
The InChIKey is NEASDYWXQCVVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-10(2)22-16(21)14-8-4-7-13(19-14)15(20)18-12-6-3-5-11(17)9-12/h3-10H,1-2H3,(H,18,20).
What are the key properties of propan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate?
propan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate has a molecular weight of 318.76 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 5042562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).