N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide

C19H29N3O4S — CID 71105736

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(S(=O)(=O)CC(C)C)n1)C(N)=O
InChIInChI=1S/C19H29N3O4S/c1-11(2)9-16(17(20)23)21-18(24)15-8-7-14(13-5-6-13)19(22-15)27(25,26)10-12(3)4/h7-8,11-13,16H,5-6,9-10H2,1-4H3,(H2,20,23)(H,21,24)/t16-/m0/s1
InChIKeyKUSGPJJCAMKZRI-INIZCTEOSA-N
MW395.53 g/mol
LogP2.02
Rot. Bonds9

About N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide (PubChem CID 71105736) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
PubChem CID71105736
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(S(=O)(=O)CC(C)C)n1)C(N)=O
InChIInChI=1S/C19H29N3O4S/c1-11(2)9-16(17(20)23)21-18(24)15-8-7-14(13-5-6-13)19(22-15)27(25,26)10-12(3)4/h7-8,11-13,16H,5-6,9-10H2,1-4H3,(H2,20,23)(H,21,24)/t16-/m0/s1
InChIKeyKUSGPJJCAMKZRI-INIZCTEOSA-N
XLogP2.02
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-Amino-2-oxoethyl)-1,1-dioxothietan-3-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 74763838
2-{[5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridine-2-carbonyl]-amino}-2-ethyl-butyric acid ethyl ester
CID 71087758
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)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105715
5-Cyclopropyl-6-isobutylsulfanyl-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105728
5-cyclopropyl-N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
CID 71105738
5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridine-2-carboxylic acid ((S)-3,3-dimethyl-1-methylcarbamoyl-butyl)-amide
CID 71105749
5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridine-2-carboxylic acid ((S)-2,2,2-trifluoro-1-pyridin-3-yl-ethyl)-amide
CID 71105750
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]-(4,4-dimethyl-oxazolidin-3-yl)-methanone
CID 76282133
[5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridin-2-yl]-(2,2-dimethyl-pyrrolidin-1-yl)-methanone
CID 90203535

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide (CID 71105736) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide is CC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(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]-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The InChIKey is KUSGPJJCAMKZRI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-11(2)9-16(17(20)23)21-18(24)15-8-7-14(13-5-6-13)19(22-15)27(25,26)10-12(3)4/h7-8,11-13,16H,5-6,9-10H2,1-4H3,(H2,20,23)(H,21,24)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 2.02, 9 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]-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide is sourced from PubChem (CID 71105736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).