N-[3-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide

C23H24ClN5O2 — CID 39679309

IUPACN-[3-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
SMILESCc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)Nc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C23H24ClN5O2/c1-15(2)14-29-22(24)20(16(3)28-29)9-10-21(30)26-18-7-4-8-19(12-18)27-23(31)17-6-5-11-25-13-17/h4-13,15H,14H2,1-3H3,(H,26,30)(H,27,31)/b10-9+
InChIKeyUTKHRSHIHJMVRZ-MDZDMXLPSA-N
MW437.93 g/mol
LogP4.80
Rot. Bonds7

About N-[3-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide

N-[3-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 39679309) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[3-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
PubChem CID39679309
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC NameN-[3-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
SMILESCc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)Nc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C23H24ClN5O2/c1-15(2)14-29-22(24)20(16(3)28-29)9-10-21(30)26-18-7-4-8-19(12-18)27-23(31)17-6-5-11-25-13-17/h4-13,15H,14H2,1-3H3,(H,26,30)(H,27,31)/b10-9+
InChIKeyUTKHRSHIHJMVRZ-MDZDMXLPSA-N
XLogP4.80
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[(E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 39679425
(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3,4-difluorophenyl)prop-2-enamide
CID 26245113
4-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]-N-methylbenzamide
CID 9158462
N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 39678520
(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 29203676
(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2,5-difluorophenyl)prop-2-enamide
CID 18230743
(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-hydroxy-4-methylphenyl)prop-2-enamide
CID 9370114
(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enamide
CID 46633180
N'-[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]-4-methylbenzohydrazide
CID 9366136
N-(5-acetamido-2-methoxyphenyl)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enamide
CID 74493622
(E)-N-(2-chloro-4-fluorophenyl)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enamide
CID 26244997
(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 8762851

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide (CID 39679309) is N-[3-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide is Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)Nc1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is UTKHRSHIHJMVRZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-15(2)14-29-22(24)20(16(3)28-29)9-10-21(30)26-18-7-4-8-19(12-18)27-23(31)17-6-5-11-25-13-17/h4-13,15H,14H2,1-3H3,(H,26,30)(H,27,31)/b10-9+.
What are the key properties of N-[3-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
N-[3-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 39679309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).