(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide

C16H23N5O — CID 124849534

IUPAC(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide
SMILESCc1cc(C)n(CCN(C)[C@@H](C)C(=O)Nc2ccccn2)n1
InChIInChI=1S/C16H23N5O/c1-12-11-13(2)21(19-12)10-9-20(4)14(3)16(22)18-15-7-5-6-8-17-15/h5-8,11,14H,9-10H2,1-4H3,(H,17,18,22)/t14-/m0/s1
InChIKeyOUXOLPHYQGPVMJ-AWEZNQCLSA-N
MW301.39 g/mol
LogP1.85
Rot. Bonds6

About (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide

(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide (PubChem CID 124849534) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide
PubChem CID124849534
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide
SMILESCc1cc(C)n(CCN(C)[C@@H](C)C(=O)Nc2ccccn2)n1
InChIInChI=1S/C16H23N5O/c1-12-11-13(2)21(19-12)10-9-20(4)14(3)16(22)18-15-7-5-6-8-17-15/h5-8,11,14H,9-10H2,1-4H3,(H,17,18,22)/t14-/m0/s1
InChIKeyOUXOLPHYQGPVMJ-AWEZNQCLSA-N
XLogP1.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-pyridin-2-ylpropanamide
CID 15943520
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 124846533
2-(diethylamino)-N-pyridin-2-ylpropanamide
CID 131880299
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(4-methoxyphenyl)butanamide
CID 124758731
(2R)-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-N-pyridin-2-ylpropanamide
CID 124753576
(2S)-2-methyl-N-pyridin-2-yl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 40793254
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
2-[2-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 74232436
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824
4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
CID 39730494
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-oxoquinolin-1-yl)acetamide
CID 72884552

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide?
The IUPAC name of (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide (CID 124849534) is (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide?
The canonical SMILES for (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide is Cc1cc(C)n(CCN(C)[C@@H](C)C(=O)Nc2ccccn2)n1.
What is the InChIKey of (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide?
The InChIKey is OUXOLPHYQGPVMJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12-11-13(2)21(19-12)10-9-20(4)14(3)16(22)18-15-7-5-6-8-17-15/h5-8,11,14H,9-10H2,1-4H3,(H,17,18,22)/t14-/m0/s1.
What are the key properties of (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide?
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide has a molecular weight of 301.39 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 124849534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).