N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide

C16H25N3O4S — CID 71105715

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)CC(C)C)n1)C(N)=O
InChIInChI=1S/C16H25N3O4S/c1-10(2)8-13(15(17)20)19-16(21)12-6-5-7-14(18-12)24(22,23)9-11(3)4/h5-7,10-11,13H,8-9H2,1-4H3,(H2,17,20)(H,19,21)/t13-/m0/s1
InChIKeyVURDSALMLAGFSD-ZDUSSCGKSA-N
MW355.46 g/mol
LogP1.14
Rot. Bonds8

About N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide (PubChem CID 71105715) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
PubChem CID71105715
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)CC(C)C)n1)C(N)=O
InChIInChI=1S/C16H25N3O4S/c1-10(2)8-13(15(17)20)19-16(21)12-6-5-7-14(18-12)24(22,23)9-11(3)4/h5-7,10-11,13H,8-9H2,1-4H3,(H2,17,20)(H,19,21)/t13-/m0/s1
InChIKeyVURDSALMLAGFSD-ZDUSSCGKSA-N
XLogP1.14
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridine-2-carboxylic acid (1-ethyl-1-methylcarbamoyl-propyl)-amide
CID 71093640
6-Isobutylsulfanyl-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105714
6-(2-Methyl-propane-1-sulfonyl)-pyridine-2-carboxylic acid [(S)-3-methyl-1-(5-methyl-[1,2,4]oxadiazol-3-yl)-butyl]-amide
CID 71105716
5-Cyclopropyl-6-isobutylsulfanyl-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105728
5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105736
5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridine-2-carboxylic acid ((S)-3,3-dimethyl-1-methylcarbamoyl-butyl)-amide
CID 71105749
5-cyclopropyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
CID 71113183
[5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridin-2-yl]-(2,2-dimethyl-pyrrolidin-1-yl)-methanone
CID 90203535
5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridine-2-carboxylic acid tert-butyl-methyl-amide
CID 90203806
N-[3-(2-Amino-2-oxoethyl)-1,1-dioxothietan-3-yl]-5-cyclopropyl-6-(2-methylpropylsulfanyl)pyridine-2-carboxamide
CID 90213845
2-N,6-N-bis(2-tert-butylsulfanylethyl)pyridine-2,6-dicarboxamide
CID 24936103
N-[(1,1-dioxothiolan-3-yl)methyl]-6-methylpyridine-2-carboxamide
CID 47157029

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide (CID 71105715) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide is CC(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)CC(C)C)n1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The InChIKey is VURDSALMLAGFSD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-10(2)8-13(15(17)20)19-16(21)12-6-5-7-14(18-12)24(22,23)9-11(3)4/h5-7,10-11,13H,8-9H2,1-4H3,(H2,17,20)(H,19,21)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide is sourced from PubChem (CID 71105715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).