(2S)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide

C17H24N4O — CID 124737702

IUPAC(2S)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide
SMILESCc1nn(C)cc1[C@@H](C)NC(=O)[C@H](c1ccncc1)C(C)C
InChIInChI=1S/C17H24N4O/c1-11(2)16(14-6-8-18-9-7-14)17(22)19-12(3)15-10-21(5)20-13(15)4/h6-12,16H,1-5H3,(H,19,22)/t12-,16+/m1/s1
InChIKeyPYGVQIGFKZEMFT-WBMJQRKESA-N
MW300.41 g/mol
LogP2.74
Rot. Bonds5

About (2S)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide

(2S)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide (PubChem CID 124737702) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide
PubChem CID124737702
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(2S)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide
SMILESCc1nn(C)cc1[C@@H](C)NC(=O)[C@H](c1ccncc1)C(C)C
InChIInChI=1S/C17H24N4O/c1-11(2)16(14-6-8-18-9-7-14)17(22)19-12(3)15-10-21(5)20-13(15)4/h6-12,16H,1-5H3,(H,19,22)/t12-,16+/m1/s1
InChIKeyPYGVQIGFKZEMFT-WBMJQRKESA-N
XLogP2.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide
CID 124737701
2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489681
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide
CID 146122778
1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 65197319
(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propanamide
CID 51390270
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide
CID 19466965
2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide
CID 119741052
2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119944858
1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-ol
CID 83090041
3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466971
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19466797
4-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 4744970

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide?
The IUPAC name of (2S)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide (CID 124737702) is (2S)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide?
The canonical SMILES for (2S)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide is Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H](c1ccncc1)C(C)C.
What is the InChIKey of (2S)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide?
The InChIKey is PYGVQIGFKZEMFT-WBMJQRKESA-N. The full InChI is InChI=1S/C17H24N4O/c1-11(2)16(14-6-8-18-9-7-14)17(22)19-12(3)15-10-21(5)20-13(15)4/h6-12,16H,1-5H3,(H,19,22)/t12-,16+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide?
(2S)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide has a molecular weight of 300.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide is sourced from PubChem (CID 124737702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).