1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide

C14H15N3O — CID 106770157

IUPAC1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide
SMILESNc1ncc(C(=O)NCC2CC2)c2ccccc12
InChIInChI=1S/C14H15N3O/c15-13-11-4-2-1-3-10(11)12(8-16-13)14(18)17-7-9-5-6-9/h1-4,8-9H,5-7H2,(H2,15,16)(H,17,18)
InChIKeyFQHJDATYUYPMMM-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.96
Rot. Bonds3

About 1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide

1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide (PubChem CID 106770157) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide
PubChem CID106770157
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide
SMILESNc1ncc(C(=O)NCC2CC2)c2ccccc12
InChIInChI=1S/C14H15N3O/c15-13-11-4-2-1-3-10(11)12(8-16-13)14(18)17-7-9-5-6-9/h1-4,8-9H,5-7H2,(H2,15,16)(H,17,18)
InChIKeyFQHJDATYUYPMMM-UHFFFAOYSA-N
XLogP1.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide
CID 106770794
1-amino-N-(thiolan-3-ylmethyl)isoquinoline-4-carboxamide
CID 107298194
1-amino-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106770080
1-amino-N-cyclopentylisoquinoline-4-carboxamide
CID 106770096
2-[(1-aminoisoquinoline-4-carbonyl)amino]ethyl carbamate
CID 106772640
1-amino-N-(2-ethoxyethyl)isoquinoline-4-carboxamide
CID 106769712
1-amino-N-(2-butoxyethyl)isoquinoline-4-carboxamide
CID 106771455
1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide
CID 106770448
1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide
CID 106772963
1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide
CID 106771195
1-amino-N-(2-methylsulfanylpropyl)isoquinoline-4-carboxamide
CID 106772784
1-amino-N-[2-(2-methylpropoxy)ethyl]isoquinoline-4-carboxamide
CID 106773007

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide (CID 106770157) is 1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide is Nc1ncc(C(=O)NCC2CC2)c2ccccc12.
What is the InChIKey of 1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide?
The InChIKey is FQHJDATYUYPMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-13-11-4-2-1-3-10(11)12(8-16-13)14(18)17-7-9-5-6-9/h1-4,8-9H,5-7H2,(H2,15,16)(H,17,18).
What are the key properties of 1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide?
1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106770157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).