N-[4-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-2-pyridinyl]cyclopropanecarboxamide

C18H17N3O2 — CID 118732136

IUPACN-[4-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C1NCCc2cc(-c3ccnc(NC(=O)C4CC4)c3)ccc21
InChIInChI=1S/C18H17N3O2/c22-17(11-1-2-11)21-16-10-13(5-7-19-16)12-3-4-15-14(9-12)6-8-20-18(15)23/h3-5,7,9-11H,1-2,6,8H2,(H,20,23)(H,19,21,22)
InChIKeyZGDKLIRAIPCTLW-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.38
Rot. Bonds3

About N-[4-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-2-pyridinyl]cyclopropanecarboxamide

N-[4-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 118732136) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[4-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID118732136
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[4-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C1NCCc2cc(-c3ccnc(NC(=O)C4CC4)c3)ccc21
InChIInChI=1S/C18H17N3O2/c22-17(11-1-2-11)21-16-10-13(5-7-19-16)12-3-4-15-14(9-12)6-8-20-18(15)23/h3-5,7,9-11H,1-2,6,8H2,(H,20,23)(H,19,21,22)
InChIKeyZGDKLIRAIPCTLW-UHFFFAOYSA-N
XLogP2.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-2-pyridinyl]cyclopropanecarboxamide (CID 118732136) is N-[4-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-2-pyridinyl]cyclopropanecarboxamide is O=C1NCCc2cc(-c3ccnc(NC(=O)C4CC4)c3)ccc21.
What is the InChIKey of N-[4-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is ZGDKLIRAIPCTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-17(11-1-2-11)21-16-10-13(5-7-19-16)12-3-4-15-14(9-12)6-8-20-18(15)23/h3-5,7,9-11H,1-2,6,8H2,(H,20,23)(H,19,21,22).
What are the key properties of N-[4-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-2-pyridinyl]cyclopropanecarboxamide?
N-[4-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 118732136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).