N-(3-amino-2-methylpropyl)isoquinoline-1-carboxamide

C14H17N3O — CID 62667809

IUPACN-(3-amino-2-methylpropyl)isoquinoline-1-carboxamide
SMILESCC(CN)CNC(=O)c1nccc2ccccc12
InChIInChI=1S/C14H17N3O/c1-10(8-15)9-17-14(18)13-12-5-3-2-4-11(12)6-7-16-13/h2-7,10H,8-9,15H2,1H3,(H,17,18)
InChIKeyAICMUHXRVLUEDC-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.56
Rot. Bonds4

About N-(3-amino-2-methylpropyl)isoquinoline-1-carboxamide

N-(3-amino-2-methylpropyl)isoquinoline-1-carboxamide (PubChem CID 62667809) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)isoquinoline-1-carboxamide
PubChem CID62667809
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(3-amino-2-methylpropyl)isoquinoline-1-carboxamide
SMILESCC(CN)CNC(=O)c1nccc2ccccc12
InChIInChI=1S/C14H17N3O/c1-10(8-15)9-17-14(18)13-12-5-3-2-4-11(12)6-7-16-13/h2-7,10H,8-9,15H2,1H3,(H,17,18)
InChIKeyAICMUHXRVLUEDC-UHFFFAOYSA-N
XLogP1.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)isoquinoline-1-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)isoquinoline-1-carboxamide (CID 62667809) is N-(3-amino-2-methylpropyl)isoquinoline-1-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)isoquinoline-1-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)isoquinoline-1-carboxamide is CC(CN)CNC(=O)c1nccc2ccccc12.
What is the InChIKey of N-(3-amino-2-methylpropyl)isoquinoline-1-carboxamide?
The InChIKey is AICMUHXRVLUEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(8-15)9-17-14(18)13-12-5-3-2-4-11(12)6-7-16-13/h2-7,10H,8-9,15H2,1H3,(H,17,18).
What are the key properties of N-(3-amino-2-methylpropyl)isoquinoline-1-carboxamide?
N-(3-amino-2-methylpropyl)isoquinoline-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)isoquinoline-1-carboxamide is sourced from PubChem (CID 62667809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).