N-[3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-2-carboxamide

C19H20ClN3O2 — CID 71560945

IUPACN-[3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-2-carboxamide
SMILESO=C(NC1CCCC(NC(=O)c2ccccn2)C1)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c20-14-6-3-5-13(11-14)18(24)22-15-7-4-8-16(12-15)23-19(25)17-9-1-2-10-21-17/h1-3,5-6,9-11,15-16H,4,7-8,12H2,(H,22,24)(H,23,25)
InChIKeyWMKYZRPEGSISJA-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.21
Rot. Bonds4

About N-[3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-2-carboxamide

N-[3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-2-carboxamide (PubChem CID 71560945) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-2-carboxamide
PubChem CID71560945
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-[3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-2-carboxamide
SMILESO=C(NC1CCCC(NC(=O)c2ccccn2)C1)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c20-14-6-3-5-13(11-14)18(24)22-15-7-4-8-16(12-15)23-19(25)17-9-1-2-10-21-17/h1-3,5-6,9-11,15-16H,4,7-8,12H2,(H,22,24)(H,23,25)
InChIKeyWMKYZRPEGSISJA-UHFFFAOYSA-N
XLogP3.21
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-2-carboxamide (CID 71560945) is N-[3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-2-carboxamide is O=C(NC1CCCC(NC(=O)c2ccccn2)C1)c1cccc(Cl)c1.
What is the InChIKey of N-[3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-2-carboxamide?
The InChIKey is WMKYZRPEGSISJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-14-6-3-5-13(11-14)18(24)22-15-7-4-8-16(12-15)23-19(25)17-9-1-2-10-21-17/h1-3,5-6,9-11,15-16H,4,7-8,12H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-2-carboxamide?
N-[3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-2-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 71560945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).