N-[5-[2-ethyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide

C24H23N5O — CID 70978177

IUPACN-[5-[2-ethyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCCc1ccc(-c2cnn(C)c2)cc1-c1ccc(NC(=O)c2cnccc2C)nc1
InChIInChI=1S/C24H23N5O/c1-4-17-5-6-18(20-13-27-29(3)15-20)11-21(17)19-7-8-23(26-12-19)28-24(30)22-14-25-10-9-16(22)2/h5-15H,4H2,1-3H3,(H,26,28,30)
InChIKeyZDXWPSHDCYTWJJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.67
Rot. Bonds5

About N-[5-[2-ethyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide

N-[5-[2-ethyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (PubChem CID 70978177) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[5-[2-ethyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-ethyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
PubChem CID70978177
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-[5-[2-ethyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCCc1ccc(-c2cnn(C)c2)cc1-c1ccc(NC(=O)c2cnccc2C)nc1
InChIInChI=1S/C24H23N5O/c1-4-17-5-6-18(20-13-27-29(3)15-20)11-21(17)19-7-8-23(26-12-19)28-24(30)22-14-25-10-9-16(22)2/h5-15H,4H2,1-3H3,(H,26,28,30)
InChIKeyZDXWPSHDCYTWJJ-UHFFFAOYSA-N
XLogP4.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-ethyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[2-ethyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (CID 70978177) is N-[5-[2-ethyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-ethyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-ethyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is CCc1ccc(-c2cnn(C)c2)cc1-c1ccc(NC(=O)c2cnccc2C)nc1.
What is the InChIKey of N-[5-[2-ethyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The InChIKey is ZDXWPSHDCYTWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-4-17-5-6-18(20-13-27-29(3)15-20)11-21(17)19-7-8-23(26-12-19)28-24(30)22-14-25-10-9-16(22)2/h5-15H,4H2,1-3H3,(H,26,28,30).
What are the key properties of N-[5-[2-ethyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
N-[5-[2-ethyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-ethyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70978177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).