N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide

C16H14N4O — CID 62180377

IUPACN-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2cccc3cnccc23)ccn1
InChIInChI=1S/C16H14N4O/c1-17-15-9-11(5-8-19-15)16(21)20-14-4-2-3-12-10-18-7-6-13(12)14/h2-10H,1H3,(H,17,19)(H,20,21)
InChIKeyRPESRLOCTQPVDR-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.92
Rot. Bonds3

About N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide

N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide (PubChem CID 62180377) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide
PubChem CID62180377
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC NameN-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2cccc3cnccc23)ccn1
InChIInChI=1S/C16H14N4O/c1-17-15-9-11(5-8-19-15)16(21)20-14-4-2-3-12-10-18-7-6-13(12)14/h2-10H,1H3,(H,17,19)(H,20,21)
InChIKeyRPESRLOCTQPVDR-UHFFFAOYSA-N
XLogP2.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-naphthalen-1-ylpyridine-4-carboxamide
CID 62185750
2-(methylamino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 55042330
N-isoquinolin-5-yl-3,5-dimethoxybenzamide
CID 8763148
2-hydrazinyl-N-naphthalen-1-ylpyridine-4-carboxamide
CID 62233221
4-amino-3-fluoro-N-isoquinolin-5-ylbenzamide
CID 62677576
N-isoquinolin-5-yl-2-methylbenzamide
CID 110483002
2-(methylamino)-N-quinolin-6-ylpyridine-4-carboxamide
CID 62640761
N-isoquinolin-5-yl-4-methoxy-3-nitrobenzamide
CID 8763192
N-isoquinolin-5-yl-6-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 166391502
N-methylisoquinolin-5-amine;hydrochloride
CID 135905265
N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 55046905
2-chloro-N-isoquinolin-5-ylfuran-3-carboxamide
CID 106685472

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide (CID 62180377) is N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)Nc2cccc3cnccc23)ccn1.
What is the InChIKey of N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is RPESRLOCTQPVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-17-15-9-11(5-8-19-15)16(21)20-14-4-2-3-12-10-18-7-6-13(12)14/h2-10H,1H3,(H,17,19)(H,20,21).
What are the key properties of N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide?
N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62180377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).