N-[4-[3-(prop-2-enoylamino)anilino]phenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

C24H20N6O2 — CID 134543468

IUPACN-[4-[3-(prop-2-enoylamino)anilino]phenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESC=CC(=O)Nc1cccc(Nc2ccc(NC(=O)c3cccc(-c4cn[nH]c4)n3)cc2)c1
InChIInChI=1S/C24H20N6O2/c1-2-23(31)28-20-6-3-5-19(13-20)27-17-9-11-18(12-10-17)29-24(32)22-8-4-7-21(30-22)16-14-25-26-15-16/h2-15,27H,1H2,(H,25,26)(H,28,31)(H,29,32)
InChIKeyQARLVPFNTBIEIN-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.59
Rot. Bonds7

About N-[4-[3-(prop-2-enoylamino)anilino]phenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

N-[4-[3-(prop-2-enoylamino)anilino]phenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 134543468) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[4-[3-(prop-2-enoylamino)anilino]phenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(prop-2-enoylamino)anilino]phenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID134543468
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC NameN-[4-[3-(prop-2-enoylamino)anilino]phenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESC=CC(=O)Nc1cccc(Nc2ccc(NC(=O)c3cccc(-c4cn[nH]c4)n3)cc2)c1
InChIInChI=1S/C24H20N6O2/c1-2-23(31)28-20-6-3-5-19(13-20)27-17-9-11-18(12-10-17)29-24(32)22-8-4-7-21(30-22)16-14-25-26-15-16/h2-15,27H,1H2,(H,25,26)(H,28,31)(H,29,32)
InChIKeyQARLVPFNTBIEIN-UHFFFAOYSA-N
XLogP4.59
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.59
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-pyridin-3-ylpyridine-2-carboxamide
CID 134557684
N-[4-[[3-(2-formylprop-2-enylamino)benzoyl]amino]phenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 134557649
N-[4-[[3-(prop-2-enoylamino)benzoyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;hydrochloride
CID 131704491
benzyl 3-[[3-[[6-(1H-pyrazol-4-yl)pyridine-2-carbonyl]amino]phenyl]carbamoyl]benzoate
CID 166841053
N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 134422733
N-[3-[[7-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]phenyl]prop-2-enamide
CID 118641640
N-[4-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557571
N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 118182513
2-N,6-N-bis(4-ethenylphenyl)pyridine-2,6-dicarboxamide
CID 156600187
N-[3-[[4-(prop-2-enoylamino)benzoyl]amino]phenyl]-3-(1H-pyrazol-5-yl)benzamide
CID 139478873
N-[4-[5-oxo-5-[4-(prop-2-enoylamino)phenyl]pentyl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557580
N-[5-[1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)triazol-4-yl]-2-pyridinyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 156867607

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(prop-2-enoylamino)anilino]phenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[4-[3-(prop-2-enoylamino)anilino]phenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 134543468) is N-[4-[3-(prop-2-enoylamino)anilino]phenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[3-(prop-2-enoylamino)anilino]phenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[3-(prop-2-enoylamino)anilino]phenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is C=CC(=O)Nc1cccc(Nc2ccc(NC(=O)c3cccc(-c4cn[nH]c4)n3)cc2)c1.
What is the InChIKey of N-[4-[3-(prop-2-enoylamino)anilino]phenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is QARLVPFNTBIEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c1-2-23(31)28-20-6-3-5-19(13-20)27-17-9-11-18(12-10-17)29-24(32)22-8-4-7-21(30-22)16-14-25-26-15-16/h2-15,27H,1H2,(H,25,26)(H,28,31)(H,29,32).
What are the key properties of N-[4-[3-(prop-2-enoylamino)anilino]phenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
N-[4-[3-(prop-2-enoylamino)anilino]phenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 4.59, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(prop-2-enoylamino)anilino]phenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 134543468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).