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

C19H29N3O2S — CID 71105728

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfanyl)pyridine-2-carboxamide
SMILESCC(C)CSc1nc(C(=O)N[C@@H](CC(C)C)C(N)=O)ccc1C1CC1
InChIInChI=1S/C19H29N3O2S/c1-11(2)9-16(17(20)23)21-18(24)15-8-7-14(13-5-6-13)19(22-15)25-10-12(3)4/h7-8,11-13,16H,5-6,9-10H2,1-4H3,(H2,20,23)(H,21,24)/t16-/m0/s1
InChIKeyYOQMNGPKORZOQG-INIZCTEOSA-N
MW363.53 g/mol
LogP3.34
Rot. Bonds9

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

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfanyl)pyridine-2-carboxamide (PubChem CID 71105728) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfanyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfanyl)pyridine-2-carboxamide
PubChem CID71105728
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfanyl)pyridine-2-carboxamide
SMILESCC(C)CSc1nc(C(=O)N[C@@H](CC(C)C)C(N)=O)ccc1C1CC1
InChIInChI=1S/C19H29N3O2S/c1-11(2)9-16(17(20)23)21-18(24)15-8-7-14(13-5-6-13)19(22-15)25-10-12(3)4/h7-8,11-13,16H,5-6,9-10H2,1-4H3,(H2,20,23)(H,21,24)/t16-/m0/s1
InChIKeyYOQMNGPKORZOQG-INIZCTEOSA-N
XLogP3.34
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-2-N-methyl-6-[(1S)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 132185545
6-benzyl-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 132186011
Butyramide, N-(6-isopropyl-2-methylsulfanylpyridin-3-ylmethyl)-3-phenyl-
CID 3605388
6-benzyl-4-N-cyclopropyl-2-N-methylpyridine-2,4-dicarboxamide
CID 132167418
4-N-cyclopropyl-2-N-methyl-6-[(1R)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 132185548
5-Cyclopropyl-6-(4-fluoro-benzyl)-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105630
5-Cyclopropyl-6-(4-fluoro-benzyl)-pyridine-2-carboxylic acid ((S)-1-carbamoyl-2-cyclopropyl-ethyl)-amide
CID 71105709
6-(3-fluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide
CID 71087622
2-{[5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridine-2-carbonyl]-amino}-2-ethyl-butyric acid ethyl ester
CID 71087758
N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-phenylpyridine-2-carboxamide
CID 71087852
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-phenylpyridine-2-carboxamide
CID 71087884
5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridine-2-carboxylic acid (1-ethyl-1-methylcarbamoyl-propyl)-amide
CID 71093640

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfanyl)pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfanyl)pyridine-2-carboxamide (CID 71105728) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfanyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfanyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfanyl)pyridine-2-carboxamide is CC(C)CSc1nc(C(=O)N[C@@H](CC(C)C)C(N)=O)ccc1C1CC1.
What is the InChIKey of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfanyl)pyridine-2-carboxamide?
The InChIKey is YOQMNGPKORZOQG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-11(2)9-16(17(20)23)21-18(24)15-8-7-14(13-5-6-13)19(22-15)25-10-12(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-methylpropylsulfanyl)pyridine-2-carboxamide?
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methylpropylsulfanyl)pyridine-2-carboxamide has a molecular weight of 363.53 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 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-methylpropylsulfanyl)pyridine-2-carboxamide is sourced from PubChem (CID 71105728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).