N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide

C24H17N5O2 — CID 6905845

IUPACN-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1cccnc1
InChIInChI=1S/C24H17N5O2/c30-24(18-8-6-12-25-14-18)27-26-15-19-16-29(20-9-2-1-3-10-20)28-23(19)22-13-17-7-4-5-11-21(17)31-22/h1-16H,(H,27,30)/b26-15+
InChIKeyCAEZKMVXBNAAGV-CVKSISIWSA-N
MW407.43 g/mol
LogP4.44
Rot. Bonds5

About N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide

N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide (PubChem CID 6905845) has the molecular formula C24H17N5O2 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide
PubChem CID6905845
Molecular FormulaC24H17N5O2
Molecular Weight407.43 g/mol
Exact Mass407.14
IUPAC NameN-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1cccnc1
InChIInChI=1S/C24H17N5O2/c30-24(18-8-6-12-25-14-18)27-26-15-19-16-29(20-9-2-1-3-10-20)28-23(19)22-13-17-7-4-5-11-21(17)31-22/h1-16H,(H,27,30)/b26-15+
InChIKeyCAEZKMVXBNAAGV-CVKSISIWSA-N
XLogP4.44
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3-(3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl)prop-2-enoic acid
CID 805325
5-(1-Methyl-1H-pyrazol-4-yl)-3-(3-(pyridin-4-yl)phenyl)furo[3,2-b]pyridine
CID 155891794
3-(5-Methyl-2-furyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872294
3-(2-(Benzyloxy)phenyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9560074
3-[(2S)-2-amino-3-phenylpropoxy]-5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridine
CID 23647441
4-(Furan-3-Yl)-3-Phenyl-2~{h}-Pyrazolo[4,3-C]pyridine
CID 119025602
N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide
CID 139209093
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 9684145
[3-(1-Benzofuran-2-yl)-1-phenylpyrazol-4-yl]methanol
CID 740225
2-(pyridin-2-yl)-5-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)furo[3,2-c]pyridin-4(5H)-one
CID 25018073
3-[(2S,4S)-2-ethyloxan-4-yl]-6,12-bis(1-methylpyrazol-4-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),5,9,11-pentaen-4-one
CID 71681741
N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1H-indazole-6-carboxamide
CID 124155921

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide (CID 6905845) is N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide is O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1cccnc1.
What is the InChIKey of N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is CAEZKMVXBNAAGV-CVKSISIWSA-N. The full InChI is InChI=1S/C24H17N5O2/c30-24(18-8-6-12-25-14-18)27-26-15-19-16-29(20-9-2-1-3-10-20)28-23(19)22-13-17-7-4-5-11-21(17)31-22/h1-16H,(H,27,30)/b26-15+.
What are the key properties of N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide?
N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6905845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).