N-[7-(6-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide

C19H18N4O — CID 67974334

IUPACN-[7-(6-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1cc(N)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C19H18N4O/c1-11-6-17(20)21-10-16(11)14-5-4-13-8-18(22-9-15(13)7-14)23-19(24)12-2-3-12/h4-10,12H,2-3H2,1H3,(H2,20,21)(H,22,23,24)
InChIKeyGNPHAZATVBAUTM-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.54
Rot. Bonds3

About N-[7-(6-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-(6-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 67974334) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[7-(6-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(6-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID67974334
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-[7-(6-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1cc(N)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C19H18N4O/c1-11-6-17(20)21-10-16(11)14-5-4-13-8-18(22-9-15(13)7-14)23-19(24)12-2-3-12/h4-10,12H,2-3H2,1H3,(H2,20,21)(H,22,23,24)
InChIKeyGNPHAZATVBAUTM-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

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Frequently Asked Questions

What is the IUPAC name of N-[7-(6-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(6-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 67974334) is N-[7-(6-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(6-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(6-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide is Cc1cc(N)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[7-(6-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is GNPHAZATVBAUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-11-6-17(20)21-10-16(11)14-5-4-13-8-18(22-9-15(13)7-14)23-19(24)12-2-3-12/h4-10,12H,2-3H2,1H3,(H2,20,21)(H,22,23,24).
What are the key properties of N-[7-(6-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(6-amino-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-[7-(6-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67974334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).