(2S)-2-acetamido-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-methylbutanamide

C17H23N5O2 — CID 31908169

IUPAC(2S)-2-acetamido-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-methylbutanamide
SMILESCC(=O)N[C@H](C(=O)Nc1ccc(-n2nc(C)cc2C)nc1)C(C)C
InChIInChI=1S/C17H23N5O2/c1-10(2)16(19-13(5)23)17(24)20-14-6-7-15(18-9-14)22-12(4)8-11(3)21-22/h6-10,16H,1-5H3,(H,19,23)(H,20,24)/t16-/m0/s1
InChIKeySCNCLBXKXIQXGJ-INIZCTEOSA-N
MW329.40 g/mol
LogP1.98
Rot. Bonds5

About (2S)-2-acetamido-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-methylbutanamide

(2S)-2-acetamido-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-methylbutanamide (PubChem CID 31908169) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-methylbutanamide
PubChem CID31908169
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2S)-2-acetamido-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-methylbutanamide
SMILESCC(=O)N[C@H](C(=O)Nc1ccc(-n2nc(C)cc2C)nc1)C(C)C
InChIInChI=1S/C17H23N5O2/c1-10(2)16(19-13(5)23)17(24)20-14-6-7-15(18-9-14)22-12(4)8-11(3)21-22/h6-10,16H,1-5H3,(H,19,23)(H,20,24)/t16-/m0/s1
InChIKeySCNCLBXKXIQXGJ-INIZCTEOSA-N
XLogP1.98
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51873889
3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride
CID 120502939
2-acetamido-3-methyl-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 18143999
4-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pentanamide;dihydrochloride
CID 120564625
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide
CID 31923949
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38420472
5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 31908021
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide
CID 31923974
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 31907855
cis-(1R,2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124623368
2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid
CID 107339173

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-acetamido-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-methylbutanamide (CID 31908169) is (2S)-2-acetamido-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-acetamido-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-methylbutanamide is CC(=O)N[C@H](C(=O)Nc1ccc(-n2nc(C)cc2C)nc1)C(C)C.
What is the InChIKey of (2S)-2-acetamido-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-methylbutanamide?
The InChIKey is SCNCLBXKXIQXGJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-10(2)16(19-13(5)23)17(24)20-14-6-7-15(18-9-14)22-12(4)8-11(3)21-22/h6-10,16H,1-5H3,(H,19,23)(H,20,24)/t16-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-methylbutanamide?
(2S)-2-acetamido-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-methylbutanamide has a molecular weight of 329.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 31908169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).