2-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-6-methylpyridine-3-carboxylic acid;N-[7-[5-(hydroxymethyl)-2-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide

C40H36N6O5 — CID 67974872

IUPAC2-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-6-methylpyridine-3-carboxylic acid;N-[7-[5-(hydroxymethyl)-2-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(C(=O)O)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)n1.Cc1ncc(CO)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C20H17N3O3.C20H19N3O2/c1-11-2-7-16(20(25)26)18(22-11)14-6-5-13-9-17(21-10-15(13)8-14)23-19(24)12-3-4-12;1-12-18(6-13(11-24)9-21-12)16-5-4-15-8-19(22-10-17(15)7-16)23-20(25)14-2-3-14/h2,5-10,12H,3-4H2,1H3,(H,25,26)(H,21,23,24);4-10,14,24H,2-3,11H2,1H3,(H,22,23,25)
InChIKeyFHRCMPCWLJEIPS-UHFFFAOYSA-N
MW680.76 g/mol
LogP7.10
Rot. Bonds8

About 2-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-6-methylpyridine-3-carboxylic acid;N-[7-[5-(hydroxymethyl)-2-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide

2-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-6-methylpyridine-3-carboxylic acid;N-[7-[5-(hydroxymethyl)-2-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 67974872) has the molecular formula C40H36N6O5 and a molecular weight of 680.76 g/mol. Its IUPAC name is 2-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-6-methylpyridine-3-carboxylic acid;N-[7-[5-(hydroxymethyl)-2-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound Name2-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-6-methylpyridine-3-carboxylic acid;N-[7-[5-(hydroxymethyl)-2-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID67974872
Molecular FormulaC40H36N6O5
Molecular Weight680.76 g/mol
Exact Mass680.27
IUPAC Name2-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-6-methylpyridine-3-carboxylic acid;N-[7-[5-(hydroxymethyl)-2-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(C(=O)O)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)n1.Cc1ncc(CO)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C20H17N3O3.C20H19N3O2/c1-11-2-7-16(20(25)26)18(22-11)14-6-5-13-9-17(21-10-15(13)8-14)23-19(24)12-3-4-12;1-12-18(6-13(11-24)9-21-12)16-5-4-15-8-19(22-10-17(15)7-16)23-20(25)14-2-3-14/h2,5-10,12H,3-4H2,1H3,(H,25,26)(H,21,23,24);4-10,14,24H,2-3,11H2,1H3,(H,22,23,25)
InChIKeyFHRCMPCWLJEIPS-UHFFFAOYSA-N
XLogP7.10
TPSA167.29 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.76
LogP ≤ 57.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-6-methylpyridine-3-carboxylic acid;N-[7-[5-(hydroxymethyl)-2-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-6-methylpyridine-3-carboxylic acid;N-[7-[5-(hydroxymethyl)-2-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of 2-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-6-methylpyridine-3-carboxylic acid;N-[7-[5-(hydroxymethyl)-2-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide (CID 67974872) is 2-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-6-methylpyridine-3-carboxylic acid;N-[7-[5-(hydroxymethyl)-2-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for 2-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-6-methylpyridine-3-carboxylic acid;N-[7-[5-(hydroxymethyl)-2-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for 2-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-6-methylpyridine-3-carboxylic acid;N-[7-[5-(hydroxymethyl)-2-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide is Cc1ccc(C(=O)O)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)n1.Cc1ncc(CO)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of 2-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-6-methylpyridine-3-carboxylic acid;N-[7-[5-(hydroxymethyl)-2-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is FHRCMPCWLJEIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3.C20H19N3O2/c1-11-2-7-16(20(25)26)18(22-11)14-6-5-13-9-17(21-10-15(13)8-14)23-19(24)12-3-4-12;1-12-18(6-13(11-24)9-21-12)16-5-4-15-8-19(22-10-17(15)7-16)23-20(25)14-2-3-14/h2,5-10,12H,3-4H2,1H3,(H,25,26)(H,21,23,24);4-10,14,24H,2-3,11H2,1H3,(H,22,23,25).
What are the key properties of 2-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-6-methylpyridine-3-carboxylic acid;N-[7-[5-(hydroxymethyl)-2-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
2-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-6-methylpyridine-3-carboxylic acid;N-[7-[5-(hydroxymethyl)-2-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 680.76 g/mol, XLogP of 7.10, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-6-methylpyridine-3-carboxylic acid;N-[7-[5-(hydroxymethyl)-2-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67974872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).