N-[1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide

C26H25N5O4 — CID 42441800

IUPACN-[1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(-n3cc(NC(=O)c4cccnc4)cn3)cc2)cc1OC
InChIInChI=1S/C26H25N5O4/c1-34-23-10-5-18(14-24(23)35-2)11-13-28-25(32)19-6-8-22(9-7-19)31-17-21(16-29-31)30-26(33)20-4-3-12-27-15-20/h3-10,12,14-17H,11,13H2,1-2H3,(H,28,32)(H,30,33)
InChIKeyAUGDTLFQIQSFPC-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.51
Rot. Bonds9

About N-[1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide

N-[1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 42441800) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-[1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID42441800
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC NameN-[1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(-n3cc(NC(=O)c4cccnc4)cn3)cc2)cc1OC
InChIInChI=1S/C26H25N5O4/c1-34-23-10-5-18(14-24(23)35-2)11-13-28-25(32)19-6-8-22(9-7-19)31-17-21(16-29-31)30-26(33)20-4-3-12-27-15-20/h3-10,12,14-17H,11,13H2,1-2H3,(H,28,32)(H,30,33)
InChIKeyAUGDTLFQIQSFPC-UHFFFAOYSA-N
XLogP3.51
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide (CID 42441800) is N-[1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide is COc1ccc(CCNC(=O)c2ccc(-n3cc(NC(=O)c4cccnc4)cn3)cc2)cc1OC.
What is the InChIKey of N-[1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is AUGDTLFQIQSFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-34-23-10-5-18(14-24(23)35-2)11-13-28-25(32)19-6-8-22(9-7-19)31-17-21(16-29-31)30-26(33)20-4-3-12-27-15-20/h3-10,12,14-17H,11,13H2,1-2H3,(H,28,32)(H,30,33).
What are the key properties of N-[1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide?
N-[1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 42441800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).