N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-3-carboxamide

C21H17N3O2 — CID 4969186

IUPACN-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-3-carboxamide
SMILESO=C(NN=C1CC(c2ccccc2)Oc2ccccc21)c1cccnc1
InChIInChI=1S/C21H17N3O2/c25-21(16-9-6-12-22-14-16)24-23-18-13-20(15-7-2-1-3-8-15)26-19-11-5-4-10-17(18)19/h1-12,14,20H,13H2,(H,24,25)
InChIKeyQBHBTIYFDZZHPR-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.74
Rot. Bonds3

About N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-3-carboxamide

N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-3-carboxamide (PubChem CID 4969186) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-3-carboxamide
PubChem CID4969186
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-3-carboxamide
SMILESO=C(NN=C1CC(c2ccccc2)Oc2ccccc21)c1cccnc1
InChIInChI=1S/C21H17N3O2/c25-21(16-9-6-12-22-14-16)24-23-18-13-20(15-7-2-1-3-8-15)26-19-11-5-4-10-17(18)19/h1-12,14,20H,13H2,(H,24,25)
InChIKeyQBHBTIYFDZZHPR-UHFFFAOYSA-N
XLogP3.74
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]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

N-[[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]pyridine-4-carboxamide
CID 129432071
N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1,3-benzodioxole-5-carboxamide
CID 42912492
N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyrimidin-2-amine
CID 71898402
1-methyl-3-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]thiourea
CID 5387434
[(E)-(6-fluoro-2-phenyl-2,3-dihydrochromen-4-ylidene)amino]urea
CID 23660880
N-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide
CID 556058
(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazine
CID 5468257
N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1H-benzimidazol-2-amine
CID 56968877
4-(4-methoxyimino-2,3-dihydrochromen-2-yl)benzoic acid
CID 154406737
N-(cycloheptylideneamino)pyridine-3-carboxamide
CID 4131498
N-[(4-methylcyclohexylidene)amino]pyridine-3-carboxamide
CID 4124153
N'-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine-3-carbohydrazide
CID 12764873

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-3-carboxamide?
The IUPAC name of N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-3-carboxamide (CID 4969186) is N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-3-carboxamide is O=C(NN=C1CC(c2ccccc2)Oc2ccccc21)c1cccnc1.
What is the InChIKey of N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-3-carboxamide?
The InChIKey is QBHBTIYFDZZHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-21(16-9-6-12-22-14-16)24-23-18-13-20(15-7-2-1-3-8-15)26-19-11-5-4-10-17(18)19/h1-12,14,20H,13H2,(H,24,25).
What are the key properties of N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-3-carboxamide?
N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-3-carboxamide is sourced from PubChem (CID 4969186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).