N-(4-carbamoylphenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-cyclohexylprop-2-enamide

C25H28N6O3 — CID 142361942

IUPACN-(4-carbamoylphenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-cyclohexylprop-2-enamide
SMILESC=CC(=O)NC1CCCCC1.NC(=O)c1ccc(NC(=O)c2cccc(-c3ccn[nH]3)n2)cc1
InChIInChI=1S/C16H13N5O2.C9H15NO/c17-15(22)10-4-6-11(7-5-10)19-16(23)14-3-1-2-12(20-14)13-8-9-18-21-13;1-2-9(11)10-8-6-4-3-5-7-8/h1-9H,(H2,17,22)(H,18,21)(H,19,23);2,8H,1,3-7H2,(H,10,11)
InChIKeyASBZJBRYOFVJPV-UHFFFAOYSA-N
MW460.54 g/mol
LogP3.44
Rot. Bonds6

About N-(4-carbamoylphenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-cyclohexylprop-2-enamide

N-(4-carbamoylphenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-cyclohexylprop-2-enamide (PubChem CID 142361942) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-cyclohexylprop-2-enamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-cyclohexylprop-2-enamide
PubChem CID142361942
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC NameN-(4-carbamoylphenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-cyclohexylprop-2-enamide
SMILESC=CC(=O)NC1CCCCC1.NC(=O)c1ccc(NC(=O)c2cccc(-c3ccn[nH]3)n2)cc1
InChIInChI=1S/C16H13N5O2.C9H15NO/c17-15(22)10-4-6-11(7-5-10)19-16(23)14-3-1-2-12(20-14)13-8-9-18-21-13;1-2-9(11)10-8-6-4-3-5-7-8/h1-9H,(H2,17,22)(H,18,21)(H,19,23);2,8H,1,3-7H2,(H,10,11)
InChIKeyASBZJBRYOFVJPV-UHFFFAOYSA-N
XLogP3.44
TPSA142.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[3-(prop-2-enoylamino)benzoyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;hydrochloride
CID 131704491
N-[4-[5-oxo-5-[4-(prop-2-enoylamino)phenyl]pentyl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557580
N-[4-[[4-(prop-2-enoylamino)bicyclo[2.1.1]hexane-2-carbonyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 166841024
N-[4-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557571
N-[5-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 166761161
N-[3-(methylamino)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 167310947
N-[3-[amino-[(Z)-2-amino-2-(1-prop-2-enoylpiperidin-4-yl)ethenyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 142361941
2-N-(4-acetylphenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095061
N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557540
methyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109095382
6-(4-carbamoylphenyl)-N-cyclopropylpyridine-2-carboxamide
CID 117087014
6-N-cyclopentyl-2-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109095033

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-cyclohexylprop-2-enamide?
The IUPAC name of N-(4-carbamoylphenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-cyclohexylprop-2-enamide (CID 142361942) is N-(4-carbamoylphenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-cyclohexylprop-2-enamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-cyclohexylprop-2-enamide?
The canonical SMILES for N-(4-carbamoylphenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-cyclohexylprop-2-enamide is C=CC(=O)NC1CCCCC1.NC(=O)c1ccc(NC(=O)c2cccc(-c3ccn[nH]3)n2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-cyclohexylprop-2-enamide?
The InChIKey is ASBZJBRYOFVJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2.C9H15NO/c17-15(22)10-4-6-11(7-5-10)19-16(23)14-3-1-2-12(20-14)13-8-9-18-21-13;1-2-9(11)10-8-6-4-3-5-7-8/h1-9H,(H2,17,22)(H,18,21)(H,19,23);2,8H,1,3-7H2,(H,10,11).
What are the key properties of N-(4-carbamoylphenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-cyclohexylprop-2-enamide?
N-(4-carbamoylphenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-cyclohexylprop-2-enamide has a molecular weight of 460.54 g/mol, XLogP of 3.44, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-cyclohexylprop-2-enamide is sourced from PubChem (CID 142361942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).