1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide

C15H15N5O — CID 106772922

IUPAC1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide
SMILESNc1ncc(C(=O)NCCc2ncc[nH]2)c2ccccc12
InChIInChI=1S/C15H15N5O/c16-14-11-4-2-1-3-10(11)12(9-20-14)15(21)19-6-5-13-17-7-8-18-13/h1-4,7-9H,5-6H2,(H2,16,20)(H,17,18)(H,19,21)
InChIKeyAMBIBGDRYVOAQS-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.51
Rot. Bonds4

About 1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide

1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide (PubChem CID 106772922) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide
PubChem CID106772922
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide
SMILESNc1ncc(C(=O)NCCc2ncc[nH]2)c2ccccc12
InChIInChI=1S/C15H15N5O/c16-14-11-4-2-1-3-10(11)12(9-20-14)15(21)19-6-5-13-17-7-8-18-13/h1-4,7-9H,5-6H2,(H2,16,20)(H,17,18)(H,19,21)
InChIKeyAMBIBGDRYVOAQS-UHFFFAOYSA-N
XLogP1.51
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide
CID 115741084
N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 115620011
1-amino-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106770080
1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide
CID 106771922
N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 115620205
N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 115620327
2-[(1-aminoisoquinoline-4-carbonyl)amino]ethyl carbamate
CID 106772640
4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115751977
2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 113315085
N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 115619996
N-[2-(1H-imidazol-2-yl)ethyl]-2-nitrobenzamide
CID 115620304
1-amino-N-(2-ethoxyethyl)isoquinoline-4-carboxamide
CID 106769712

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide?
The IUPAC name of 1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide (CID 106772922) is 1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide?
The canonical SMILES for 1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide is Nc1ncc(C(=O)NCCc2ncc[nH]2)c2ccccc12.
What is the InChIKey of 1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide?
The InChIKey is AMBIBGDRYVOAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c16-14-11-4-2-1-3-10(11)12(9-20-14)15(21)19-6-5-13-17-7-8-18-13/h1-4,7-9H,5-6H2,(H2,16,20)(H,17,18)(H,19,21).
What are the key properties of 1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide?
1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide is sourced from PubChem (CID 106772922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).