(2S)-2-methyl-N-pyridin-2-yl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

C15H20N4O — CID 40793254

IUPAC(2S)-2-methyl-N-pyridin-2-yl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(C[C@H](C)C(=O)Nc2ccccn2)c(C)c1C
InChIInChI=1S/C15H20N4O/c1-10(9-19-13(4)11(2)12(3)18-19)15(20)17-14-7-5-6-8-16-14/h5-8,10H,9H2,1-4H3,(H,16,17,20)/t10-/m0/s1
InChIKeyLAGGZHPSVJGCGK-JTQLQIEISA-N
MW272.35 g/mol
LogP2.48
Rot. Bonds4

About (2S)-2-methyl-N-pyridin-2-yl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

(2S)-2-methyl-N-pyridin-2-yl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (PubChem CID 40793254) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S)-2-methyl-N-pyridin-2-yl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-pyridin-2-yl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
PubChem CID40793254
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2S)-2-methyl-N-pyridin-2-yl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(C[C@H](C)C(=O)Nc2ccccn2)c(C)c1C
InChIInChI=1S/C15H20N4O/c1-10(9-19-13(4)11(2)12(3)18-19)15(20)17-14-7-5-6-8-16-14/h5-8,10H,9H2,1-4H3,(H,16,17,20)/t10-/m0/s1
InChIKeyLAGGZHPSVJGCGK-JTQLQIEISA-N
XLogP2.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-pyridin-2-ylpropanamide
CID 15943520
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 40793189
(2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid
CID 7258416
2-(diethylamino)-N-pyridin-2-ylpropanamide
CID 131880299
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
CID 139893651
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-fluorophenyl)-2-methylpropanamide
CID 4865180
(2R)-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 92596397
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide
CID 19286049
2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide
CID 119095301
N-(5-bromoquinolin-8-yl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanamide
CID 19562097
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide
CID 124849534

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-pyridin-2-yl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The IUPAC name of (2S)-2-methyl-N-pyridin-2-yl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (CID 40793254) is (2S)-2-methyl-N-pyridin-2-yl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-2-methyl-N-pyridin-2-yl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The canonical SMILES for (2S)-2-methyl-N-pyridin-2-yl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is Cc1nn(C[C@H](C)C(=O)Nc2ccccn2)c(C)c1C.
What is the InChIKey of (2S)-2-methyl-N-pyridin-2-yl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The InChIKey is LAGGZHPSVJGCGK-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(9-19-13(4)11(2)12(3)18-19)15(20)17-14-7-5-6-8-16-14/h5-8,10H,9H2,1-4H3,(H,16,17,20)/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-N-pyridin-2-yl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
(2S)-2-methyl-N-pyridin-2-yl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-pyridin-2-yl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 40793254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).