N-[5-chloro-2-(cyclopropylamino)phenyl]-5-cyanopyridine-2-carboxamide

C16H13ClN4O — CID 71920481

IUPACN-[5-chloro-2-(cyclopropylamino)phenyl]-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2cc(Cl)ccc2NC2CC2)nc1
InChIInChI=1S/C16H13ClN4O/c17-11-2-6-13(20-12-3-4-12)15(7-11)21-16(22)14-5-1-10(8-18)9-19-14/h1-2,5-7,9,12,20H,3-4H2,(H,21,22)
InChIKeyJQZAKDNAOOCJAM-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.43
Rot. Bonds4

About N-[5-chloro-2-(cyclopropylamino)phenyl]-5-cyanopyridine-2-carboxamide

N-[5-chloro-2-(cyclopropylamino)phenyl]-5-cyanopyridine-2-carboxamide (PubChem CID 71920481) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is N-[5-chloro-2-(cyclopropylamino)phenyl]-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(cyclopropylamino)phenyl]-5-cyanopyridine-2-carboxamide
PubChem CID71920481
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC NameN-[5-chloro-2-(cyclopropylamino)phenyl]-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2cc(Cl)ccc2NC2CC2)nc1
InChIInChI=1S/C16H13ClN4O/c17-11-2-6-13(20-12-3-4-12)15(7-11)21-16(22)14-5-1-10(8-18)9-19-14/h1-2,5-7,9,12,20H,3-4H2,(H,21,22)
InChIKeyJQZAKDNAOOCJAM-UHFFFAOYSA-N
XLogP3.43
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-5-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63722654
5-cyano-N-[2-(cyclopropylamino)-6-fluorophenyl]pyridine-2-carboxamide
CID 71919813
5-chloro-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 103811024
N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705
N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 63719479
N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 55230967
5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide
CID 115116632
N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide
CID 63724359
N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109199438
5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
CID 64741358
N-(5-chloro-2-methylphenyl)-5-(cyclohexylamino)pyridine-2-carboxamide
CID 109183168
3-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]propanamide
CID 119856759

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(cyclopropylamino)phenyl]-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[5-chloro-2-(cyclopropylamino)phenyl]-5-cyanopyridine-2-carboxamide (CID 71920481) is N-[5-chloro-2-(cyclopropylamino)phenyl]-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(cyclopropylamino)phenyl]-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-(cyclopropylamino)phenyl]-5-cyanopyridine-2-carboxamide is N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2NC2CC2)nc1.
What is the InChIKey of N-[5-chloro-2-(cyclopropylamino)phenyl]-5-cyanopyridine-2-carboxamide?
The InChIKey is JQZAKDNAOOCJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-11-2-6-13(20-12-3-4-12)15(7-11)21-16(22)14-5-1-10(8-18)9-19-14/h1-2,5-7,9,12,20H,3-4H2,(H,21,22).
What are the key properties of N-[5-chloro-2-(cyclopropylamino)phenyl]-5-cyanopyridine-2-carboxamide?
N-[5-chloro-2-(cyclopropylamino)phenyl]-5-cyanopyridine-2-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(cyclopropylamino)phenyl]-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 71920481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).