N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide

C19H18N4O — CID 135342628

IUPACN-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1ccncc1-c1cc(N)c2cnc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C19H18N4O/c1-11-4-5-21-9-15(11)13-6-14-8-18(23-19(24)12-2-3-12)22-10-16(14)17(20)7-13/h4-10,12H,2-3,20H2,1H3,(H,22,23,24)
InChIKeySOSUUZWUFKJLGF-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.54
Rot. Bonds3

About N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 135342628) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID135342628
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1ccncc1-c1cc(N)c2cnc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C19H18N4O/c1-11-4-5-21-9-15(11)13-6-14-8-18(23-19(24)12-2-3-12)22-10-16(14)17(20)7-13/h4-10,12H,2-3,20H2,1H3,(H,22,23,24)
InChIKeySOSUUZWUFKJLGF-UHFFFAOYSA-N
XLogP3.54
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-Amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5328117
1-[2-Amino-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5328125
N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
CID 5328248
1-[2-Amino-6-(2,3-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5329120
1-[2-Amino-6-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5329122
1-Ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea
CID 67448852
1-Ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea
CID 67450369
N-(7-(5-fluoro-4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 67974814
1-Isoquinolin-8-yl-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]urea
CID 71237098
N-(8-amino-7-cyano-6-(4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 135343141
N-(8-amino-6-(4-methylpyridin-3-yl)-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
CID 135345433
1-methyl-N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]isoquinolin-3-yl]piperidine-4-carboxamide
CID 138586301

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 135342628) is N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide is Cc1ccncc1-c1cc(N)c2cnc(NC(=O)C3CC3)cc2c1.
What is the InChIKey of N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is SOSUUZWUFKJLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-11-4-5-21-9-15(11)13-6-14-8-18(23-19(24)12-2-3-12)22-10-16(14)17(20)7-13/h4-10,12H,2-3,20H2,1H3,(H,22,23,24).
What are the key properties of N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 135342628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).