N-(3-chloroisoquinolin-4-yl)-2-(cyclopropylamino)pyridine-3-carboxamide

C18H15ClN4O — CID 10735787

IUPACN-(3-chloroisoquinolin-4-yl)-2-(cyclopropylamino)pyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)ncc2ccccc12)c1cccnc1NC1CC1
InChIInChI=1S/C18H15ClN4O/c19-16-15(13-5-2-1-4-11(13)10-21-16)23-18(24)14-6-3-9-20-17(14)22-12-7-8-12/h1-6,9-10,12H,7-8H2,(H,20,22)(H,23,24)
InChIKeyNNTZVIHITIBXIB-UHFFFAOYSA-N
MW338.80 g/mol
LogP4.11
Rot. Bonds4

About N-(3-chloroisoquinolin-4-yl)-2-(cyclopropylamino)pyridine-3-carboxamide

N-(3-chloroisoquinolin-4-yl)-2-(cyclopropylamino)pyridine-3-carboxamide (PubChem CID 10735787) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is N-(3-chloroisoquinolin-4-yl)-2-(cyclopropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloroisoquinolin-4-yl)-2-(cyclopropylamino)pyridine-3-carboxamide
PubChem CID10735787
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC NameN-(3-chloroisoquinolin-4-yl)-2-(cyclopropylamino)pyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)ncc2ccccc12)c1cccnc1NC1CC1
InChIInChI=1S/C18H15ClN4O/c19-16-15(13-5-2-1-4-11(13)10-21-16)23-18(24)14-6-3-9-20-17(14)22-12-7-8-12/h1-6,9-10,12H,7-8H2,(H,20,22)(H,23,24)
InChIKeyNNTZVIHITIBXIB-UHFFFAOYSA-N
XLogP4.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-6-chloro-4-methyl-3-pyridinyl)-2-(cyclopropylamino)pyridine-3-carboxamide
CID 122423281
2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 84574880
2-(cyclopropylamino)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 84574316
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 84574884
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 84573928
2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 84574680
2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
N-(2-chloro-6-fluorophenyl)-2-(cyclopropylamino)-5-fluoropyridine-3-carboxamide
CID 162350144
2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 84573642
2-chloro-N-[2-(cyclopropylamino)-4-methyl-3-pyridinyl]-5-nitropyridine-3-carboxamide
CID 10641418
2-(cyclopentylamino)-N-(2-methylquinolin-6-yl)pyridine-3-carboxamide
CID 166361415

Frequently Asked Questions

What is the IUPAC name of N-(3-chloroisoquinolin-4-yl)-2-(cyclopropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloroisoquinolin-4-yl)-2-(cyclopropylamino)pyridine-3-carboxamide (CID 10735787) is N-(3-chloroisoquinolin-4-yl)-2-(cyclopropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloroisoquinolin-4-yl)-2-(cyclopropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloroisoquinolin-4-yl)-2-(cyclopropylamino)pyridine-3-carboxamide is O=C(Nc1c(Cl)ncc2ccccc12)c1cccnc1NC1CC1.
What is the InChIKey of N-(3-chloroisoquinolin-4-yl)-2-(cyclopropylamino)pyridine-3-carboxamide?
The InChIKey is NNTZVIHITIBXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-16-15(13-5-2-1-4-11(13)10-21-16)23-18(24)14-6-3-9-20-17(14)22-12-7-8-12/h1-6,9-10,12H,7-8H2,(H,20,22)(H,23,24).
What are the key properties of N-(3-chloroisoquinolin-4-yl)-2-(cyclopropylamino)pyridine-3-carboxamide?
N-(3-chloroisoquinolin-4-yl)-2-(cyclopropylamino)pyridine-3-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloroisoquinolin-4-yl)-2-(cyclopropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 10735787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).