(3S)-N-[(R)-phenyl(pyridin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)butanamide

C22H26N4O — CID 51495763

IUPAC(3S)-N-[(R)-phenyl(pyridin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)butanamide
SMILESCc1nn([C@@H](C)CC(=O)N[C@H](c2ccccc2)c2cccnc2)c(C)c1C
InChIInChI=1S/C22H26N4O/c1-15(26-18(4)16(2)17(3)25-26)13-21(27)24-22(19-9-6-5-7-10-19)20-11-8-12-23-14-20/h5-12,14-15,22H,13H2,1-4H3,(H,24,27)/t15-,22+/m0/s1
InChIKeyCLTZLUQOHRSHHK-OYHNWAKOSA-N
MW362.48 g/mol
LogP4.06
Rot. Bonds6

About (3S)-N-[(R)-phenyl(pyridin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)butanamide

(3S)-N-[(R)-phenyl(pyridin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)butanamide (PubChem CID 51495763) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is (3S)-N-[(R)-phenyl(pyridin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)butanamide.

Molecular Properties

Compound Name(3S)-N-[(R)-phenyl(pyridin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)butanamide
PubChem CID51495763
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name(3S)-N-[(R)-phenyl(pyridin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)butanamide
SMILESCc1nn([C@@H](C)CC(=O)N[C@H](c2ccccc2)c2cccnc2)c(C)c1C
InChIInChI=1S/C22H26N4O/c1-15(26-18(4)16(2)17(3)25-26)13-21(27)24-22(19-9-6-5-7-10-19)20-11-8-12-23-14-20/h5-12,14-15,22H,13H2,1-4H3,(H,24,27)/t15-,22+/m0/s1
InChIKeyCLTZLUQOHRSHHK-OYHNWAKOSA-N
XLogP4.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(R)-phenyl(pyridin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(R)-pyridin-4-yl(thiophen-2-yl)methyl]butanamide
CID 51597889
2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide
CID 119875696
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(R)-phenyl(pyridin-3-yl)methyl]acetamide
CID 99832422
2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide
CID 96533957
2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide
CID 119875686
2-(2-phenylimidazol-1-yl)-N-[(R)-phenyl(pyridin-3-yl)methyl]acetamide
CID 51492898
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(S)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide
CID 51584917
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide
CID 119875674
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide
CID 92500236
2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide
CID 20897057

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(R)-phenyl(pyridin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)butanamide?
The IUPAC name of (3S)-N-[(R)-phenyl(pyridin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)butanamide (CID 51495763) is (3S)-N-[(R)-phenyl(pyridin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)butanamide.
What is the SMILES notation for (3S)-N-[(R)-phenyl(pyridin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)butanamide?
The canonical SMILES for (3S)-N-[(R)-phenyl(pyridin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)butanamide is Cc1nn([C@@H](C)CC(=O)N[C@H](c2ccccc2)c2cccnc2)c(C)c1C.
What is the InChIKey of (3S)-N-[(R)-phenyl(pyridin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)butanamide?
The InChIKey is CLTZLUQOHRSHHK-OYHNWAKOSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15(26-18(4)16(2)17(3)25-26)13-21(27)24-22(19-9-6-5-7-10-19)20-11-8-12-23-14-20/h5-12,14-15,22H,13H2,1-4H3,(H,24,27)/t15-,22+/m0/s1.
What are the key properties of (3S)-N-[(R)-phenyl(pyridin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)butanamide?
(3S)-N-[(R)-phenyl(pyridin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)butanamide has a molecular weight of 362.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(R)-phenyl(pyridin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)butanamide is sourced from PubChem (CID 51495763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).