1-amino-N-cyclopentylisoquinoline-4-carboxamide

C15H17N3O — CID 106770096

IUPAC1-amino-N-cyclopentylisoquinoline-4-carboxamide
SMILESNc1ncc(C(=O)NC2CCCC2)c2ccccc12
InChIInChI=1S/C15H17N3O/c16-14-12-8-4-3-7-11(12)13(9-17-14)15(19)18-10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2,(H2,16,17)(H,18,19)
InChIKeyDYQUBUJXVBTNHZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.49
Rot. Bonds2

About 1-amino-N-cyclopentylisoquinoline-4-carboxamide

1-amino-N-cyclopentylisoquinoline-4-carboxamide (PubChem CID 106770096) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-amino-N-cyclopentylisoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-amino-N-cyclopentylisoquinoline-4-carboxamide
PubChem CID106770096
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-amino-N-cyclopentylisoquinoline-4-carboxamide
SMILESNc1ncc(C(=O)NC2CCCC2)c2ccccc12
InChIInChI=1S/C15H17N3O/c16-14-12-8-4-3-7-11(12)13(9-17-14)15(19)18-10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2,(H2,16,17)(H,18,19)
InChIKeyDYQUBUJXVBTNHZ-UHFFFAOYSA-N
XLogP2.49
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(2,3-dimethylcyclopentyl)isoquinoline-4-carboxamide
CID 106772163
1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide
CID 106770157
N-cyclohexyl-4-hydroxynaphthalene-1-carboxamide
CID 699930
2-amino-5-bromo-N-cyclopentylpyridine-3-carboxamide
CID 62155023
1-chloro-N-(1-oxothian-4-yl)isoquinoline-4-carboxamide
CID 106766369
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide
CID 106770794
1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide
CID 106218185
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide
CID 54045835
2-chloro-N-cyclopentylbenzamide
CID 669043
1-amino-N-(2-butoxyethyl)isoquinoline-4-carboxamide
CID 106771455
4-amino-N-cycloheptylpyridine-3-carboxamide
CID 81236590

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-cyclopentylisoquinoline-4-carboxamide?
The IUPAC name of 1-amino-N-cyclopentylisoquinoline-4-carboxamide (CID 106770096) is 1-amino-N-cyclopentylisoquinoline-4-carboxamide.
What is the SMILES notation for 1-amino-N-cyclopentylisoquinoline-4-carboxamide?
The canonical SMILES for 1-amino-N-cyclopentylisoquinoline-4-carboxamide is Nc1ncc(C(=O)NC2CCCC2)c2ccccc12.
What is the InChIKey of 1-amino-N-cyclopentylisoquinoline-4-carboxamide?
The InChIKey is DYQUBUJXVBTNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-14-12-8-4-3-7-11(12)13(9-17-14)15(19)18-10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2,(H2,16,17)(H,18,19).
What are the key properties of 1-amino-N-cyclopentylisoquinoline-4-carboxamide?
1-amino-N-cyclopentylisoquinoline-4-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-cyclopentylisoquinoline-4-carboxamide is sourced from PubChem (CID 106770096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).