2-amino-N-[3-(3-cyclopropylimidazol-4-yl)phenyl]prop-2-enamide

C15H16N4O — CID 166691105

IUPAC2-amino-N-[3-(3-cyclopropylimidazol-4-yl)phenyl]prop-2-enamide
SMILESC=C(N)C(=O)Nc1cccc(-c2cncn2C2CC2)c1
InChIInChI=1S/C15H16N4O/c1-10(16)15(20)18-12-4-2-3-11(7-12)14-8-17-9-19(14)13-5-6-13/h2-4,7-9,13H,1,5-6,16H2,(H,18,20)
InChIKeyFFBZXMVGNVGXDR-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.30
Rot. Bonds4

About 2-amino-N-[3-(3-cyclopropylimidazol-4-yl)phenyl]prop-2-enamide

2-amino-N-[3-(3-cyclopropylimidazol-4-yl)phenyl]prop-2-enamide (PubChem CID 166691105) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-amino-N-[3-(3-cyclopropylimidazol-4-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-amino-N-[3-(3-cyclopropylimidazol-4-yl)phenyl]prop-2-enamide
PubChem CID166691105
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-amino-N-[3-(3-cyclopropylimidazol-4-yl)phenyl]prop-2-enamide
SMILESC=C(N)C(=O)Nc1cccc(-c2cncn2C2CC2)c1
InChIInChI=1S/C15H16N4O/c1-10(16)15(20)18-12-4-2-3-11(7-12)14-8-17-9-19(14)13-5-6-13/h2-4,7-9,13H,1,5-6,16H2,(H,18,20)
InChIKeyFFBZXMVGNVGXDR-UHFFFAOYSA-N
XLogP2.30
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[5-(3-bromophenyl)imidazol-1-yl]piperidine
CID 84739493
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-ylpyridine-2-carboxamide
CID 58102999
3-[4-(3-cyclopropylimidazol-4-yl)phenyl]-2-methylpropanoic acid
CID 115054937
2-[2-(3-cyclopropylimidazol-4-yl)phenyl]acetic acid
CID 84737107
2-anilino-2-(3-cyclopropylimidazol-4-yl)acetamide
CID 66140429
1-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-3-(3-phenylphenyl)urea
CID 122504291
1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea
CID 126428144
1-(3-cyclopentyloxyphenyl)-3-[(3-cyclopropylimidazol-4-yl)methyl]urea
CID 72876543
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide
CID 135365529
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(3-cyclopropylimidazol-4-yl)phenyl]prop-2-enamide?
The IUPAC name of 2-amino-N-[3-(3-cyclopropylimidazol-4-yl)phenyl]prop-2-enamide (CID 166691105) is 2-amino-N-[3-(3-cyclopropylimidazol-4-yl)phenyl]prop-2-enamide.
What is the SMILES notation for 2-amino-N-[3-(3-cyclopropylimidazol-4-yl)phenyl]prop-2-enamide?
The canonical SMILES for 2-amino-N-[3-(3-cyclopropylimidazol-4-yl)phenyl]prop-2-enamide is C=C(N)C(=O)Nc1cccc(-c2cncn2C2CC2)c1.
What is the InChIKey of 2-amino-N-[3-(3-cyclopropylimidazol-4-yl)phenyl]prop-2-enamide?
The InChIKey is FFBZXMVGNVGXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10(16)15(20)18-12-4-2-3-11(7-12)14-8-17-9-19(14)13-5-6-13/h2-4,7-9,13H,1,5-6,16H2,(H,18,20).
What are the key properties of 2-amino-N-[3-(3-cyclopropylimidazol-4-yl)phenyl]prop-2-enamide?
2-amino-N-[3-(3-cyclopropylimidazol-4-yl)phenyl]prop-2-enamide has a molecular weight of 268.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(3-cyclopropylimidazol-4-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 166691105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).