(Z)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enamide

C17H14N4O3 — CID 170877528

IUPAC(Z)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enamide
SMILESCc1cccn2c(/C=C\C(N)=O)c(-c3cccc([N+](=O)[O-])c3)nc12
InChIInChI=1S/C17H14N4O3/c1-11-4-3-9-20-14(7-8-15(18)22)16(19-17(11)20)12-5-2-6-13(10-12)21(23)24/h2-10H,1H3,(H2,18,22)/b8-7-
InChIKeyHYNCCXBGSDZQQL-FPLPWBNLSA-N
MW322.32 g/mol
LogP2.72
Rot. Bonds4

About (Z)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enamide

(Z)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enamide (PubChem CID 170877528) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is (Z)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enamide
PubChem CID170877528
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name(Z)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enamide
SMILESCc1cccn2c(/C=C\C(N)=O)c(-c3cccc([N+](=O)[O-])c3)nc12
InChIInChI=1S/C17H14N4O3/c1-11-4-3-9-20-14(7-8-15(18)22)16(19-17(11)20)12-5-2-6-13(10-12)21(23)24/h2-10H,1H3,(H2,18,22)/b8-7-
InChIKeyHYNCCXBGSDZQQL-FPLPWBNLSA-N
XLogP2.72
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023676
3-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 2759948
3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195720
(Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 92908083
(E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023674
9-methyl-2-(3-nitroanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 58357430
2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 2760202
3-(3-nitrophenyl)prop-2-enamide
CID 692292
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
2-[(Z)-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 54612616
3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029739
2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866412

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enamide?
The IUPAC name of (Z)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enamide (CID 170877528) is (Z)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enamide.
What is the SMILES notation for (Z)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enamide?
The canonical SMILES for (Z)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enamide is Cc1cccn2c(/C=C\C(N)=O)c(-c3cccc([N+](=O)[O-])c3)nc12.
What is the InChIKey of (Z)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enamide?
The InChIKey is HYNCCXBGSDZQQL-FPLPWBNLSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-11-4-3-9-20-14(7-8-15(18)22)16(19-17(11)20)12-5-2-6-13(10-12)21(23)24/h2-10H,1H3,(H2,18,22)/b8-7-.
What are the key properties of (Z)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enamide?
(Z)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enamide has a molecular weight of 322.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enamide is sourced from PubChem (CID 170877528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).