N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide

C21H24N4O — CID 96550907

IUPACN-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide
SMILESCc1ccc(C[C@H](NC(=O)CCCn2cccn2)c2ccccn2)cc1
InChIInChI=1S/C21H24N4O/c1-17-8-10-18(11-9-17)16-20(19-6-2-3-12-22-19)24-21(26)7-4-14-25-15-5-13-23-25/h2-3,5-6,8-13,15,20H,4,7,14,16H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyXDOIRRCXQQUSOS-FQEVSTJZSA-N
MW348.45 g/mol
LogP3.47
Rot. Bonds8

About N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide

N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide (PubChem CID 96550907) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide
PubChem CID96550907
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide
SMILESCc1ccc(C[C@H](NC(=O)CCCn2cccn2)c2ccccn2)cc1
InChIInChI=1S/C21H24N4O/c1-17-8-10-18(11-9-17)16-20(19-6-2-3-12-22-19)24-21(26)7-4-14-25-15-5-13-23-25/h2-3,5-6,8-13,15,20H,4,7,14,16H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyXDOIRRCXQQUSOS-FQEVSTJZSA-N
XLogP3.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide
CID 56791179
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide
CID 86956430
2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride
CID 154856536
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 96550885
N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide
CID 96539654
2-(butylamino)-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide;dihydrochloride
CID 21293880
N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide
CID 91638874
4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
CID 96550906
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide
CID 56791178
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide
CID 166187725
4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)butanamide
CID 110222194
N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-pyrazol-1-ylbutanamide
CID 125160409

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide (CID 96550907) is N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide is Cc1ccc(C[C@H](NC(=O)CCCn2cccn2)c2ccccn2)cc1.
What is the InChIKey of N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide?
The InChIKey is XDOIRRCXQQUSOS-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24N4O/c1-17-8-10-18(11-9-17)16-20(19-6-2-3-12-22-19)24-21(26)7-4-14-25-15-5-13-23-25/h2-3,5-6,8-13,15,20H,4,7,14,16H2,1H3,(H,24,26)/t20-/m0/s1.
What are the key properties of N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide?
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide has a molecular weight of 348.45 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 96550907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).