5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide

C23H25FN6O2 — CID 167512347

IUPAC5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
SMILESC=CC1NC(C(=O)Nc2cc(C(=O)NC)cnc2Nc2ccccc2C)=C(F)N1/C=C\C
InChIInChI=1S/C23H25FN6O2/c1-5-11-30-18(6-2)29-19(20(30)24)23(32)28-17-12-15(22(31)25-4)13-26-21(17)27-16-10-8-7-9-14(16)3/h5-13,18,29H,2H2,1,3-4H3,(H,25,31)(H,26,27)(H,28,32)/b11-5-
InChIKeyOPTTVRLZWFXTFQ-WZUFQYTHSA-N
MW436.49 g/mol
LogP3.52
Rot. Bonds7

About 5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide

5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide (PubChem CID 167512347) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is 5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
PubChem CID167512347
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC Name5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
SMILESC=CC1NC(C(=O)Nc2cc(C(=O)NC)cnc2Nc2ccccc2C)=C(F)N1/C=C\C
InChIInChI=1S/C23H25FN6O2/c1-5-11-30-18(6-2)29-19(20(30)24)23(32)28-17-12-15(22(31)25-4)13-26-21(17)27-16-10-8-7-9-14(16)3/h5-13,18,29H,2H2,1,3-4H3,(H,25,31)(H,26,27)(H,28,32)/b11-5-
InChIKeyOPTTVRLZWFXTFQ-WZUFQYTHSA-N
XLogP3.52
TPSA98.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide 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

5-[(4-fluoro-3,5-dimethylbenzoyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512340
8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide
CID 176510169
4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide
CID 176510143
3-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 176510148
N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 176510121
ethane;3-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]isoquinoline-1-carboxamide
CID 167512246
5-bromo-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 176510201
N-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide
CID 176510162
ethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide
CID 167512450
5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 167512259
5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 167512267
N-[2-(2-methylanilino)-5-(methylcarbamothioyl)-3-pyridinyl]-1-benzothiophene-3-carboxamide
CID 176510139

Frequently Asked Questions

What is the IUPAC name of 5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide?
The IUPAC name of 5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide (CID 167512347) is 5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for 5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide is C=CC1NC(C(=O)Nc2cc(C(=O)NC)cnc2Nc2ccccc2C)=C(F)N1/C=C\C.
What is the InChIKey of 5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide?
The InChIKey is OPTTVRLZWFXTFQ-WZUFQYTHSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-5-11-30-18(6-2)29-19(20(30)24)23(32)28-17-12-15(22(31)25-4)13-26-21(17)27-16-10-8-7-9-14(16)3/h5-13,18,29H,2H2,1,3-4H3,(H,25,31)(H,26,27)(H,28,32)/b11-5-.
What are the key properties of 5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide?
5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 3.52, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 167512347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).