3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide

C16H16N4O — CID 115741084

IUPAC3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide
SMILESNc1cc2ccccc2cc1C(=O)NCCc1ncc[nH]1
InChIInChI=1S/C16H16N4O/c17-14-10-12-4-2-1-3-11(12)9-13(14)16(21)20-6-5-15-18-7-8-19-15/h1-4,7-10H,5-6,17H2,(H,18,19)(H,20,21)
InChIKeyNRGMNXZZPLSRAH-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.12
Rot. Bonds4

About 3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide

3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide (PubChem CID 115741084) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide
PubChem CID115741084
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide
SMILESNc1cc2ccccc2cc1C(=O)NCCc1ncc[nH]1
InChIInChI=1S/C16H16N4O/c17-14-10-12-4-2-1-3-11(12)9-13(14)16(21)20-6-5-15-18-7-8-19-15/h1-4,7-10H,5-6,17H2,(H,18,19)(H,20,21)
InChIKeyNRGMNXZZPLSRAH-UHFFFAOYSA-N
XLogP2.12
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide
CID 106772922
4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115751977
5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide
CID 102705968
2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 113315085
N-[2-(1H-imidazol-2-yl)ethyl]-2-nitrobenzamide
CID 115620304
N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115620186
N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 115620327
N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 115620011
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 115620189
3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
CID 61209338
N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 115620205
3-amino-N-[2-(6-chloro-3-pyridinyl)ethyl]naphthalene-2-carboxamide;hydrochloride
CID 91645125

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide (CID 115741084) is 3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide is Nc1cc2ccccc2cc1C(=O)NCCc1ncc[nH]1.
What is the InChIKey of 3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide?
The InChIKey is NRGMNXZZPLSRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-14-10-12-4-2-1-3-11(12)9-13(14)16(21)20-6-5-15-18-7-8-19-15/h1-4,7-10H,5-6,17H2,(H,18,19)(H,20,21).
What are the key properties of 3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide?
3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 115741084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).