N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide

C18H17N5O — CID 71115252

IUPACN-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1nc(N)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C18H17N5O/c1-10-15(9-21-18(19)22-10)13-5-4-12-7-16(20-8-14(12)6-13)23-17(24)11-2-3-11/h4-9,11H,2-3H2,1H3,(H2,19,21,22)(H,20,23,24)
InChIKeyWCWAUISFUISMIF-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.93
Rot. Bonds3

About N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 71115252) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID71115252
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1nc(N)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C18H17N5O/c1-10-15(9-21-18(19)22-10)13-5-4-12-7-16(20-8-14(12)6-13)23-17(24)11-2-3-11/h4-9,11H,2-3H2,1H3,(H2,19,21,22)(H,20,23,24)
InChIKeyWCWAUISFUISMIF-UHFFFAOYSA-N
XLogP2.93
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[7-(6-formyl-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 86674946
N-[7-(2-methyl-5-nitrosophenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587707
N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]cyclobutanecarboxamide
CID 57411211
N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974850
N-[7-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115120
N-[7-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974995
N-[7-[4-methyl-6-(2-nitrosopropan-2-yl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587536
methyl 4-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-2-fluoro-5-methylbenzoate
CID 67974657
N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide
CID 67975011
N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411093
N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410850
N-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410357

Frequently Asked Questions

What is the IUPAC name of N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 71115252) is N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide is Cc1nc(N)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is WCWAUISFUISMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-10-15(9-21-18(19)22-10)13-5-4-12-7-16(20-8-14(12)6-13)23-17(24)11-2-3-11/h4-9,11H,2-3H2,1H3,(H2,19,21,22)(H,20,23,24).
What are the key properties of N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71115252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).