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

C19H29N3O4S — CID 78010189

IUPACN-(1-amino-4-methyl-1-oxopentan-2-yl)-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
SMILESCC(C)CC(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)
InChIKeyKUSGPJJCAMKZRI-UHFFFAOYSA-N
MW395.53 g/mol
LogP2.02
Rot. Bonds9

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

N-(1-amino-4-methyl-1-oxopentan-2-yl)-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide (PubChem CID 78010189) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-(1-amino-4-methyl-1-oxopentan-2-yl)-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methyl-1-oxopentan-2-yl)-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
PubChem CID78010189
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC NameN-(1-amino-4-methyl-1-oxopentan-2-yl)-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
SMILESCC(C)CC(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)
InChIKeyKUSGPJJCAMKZRI-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methyl-1-oxopentan-2-yl)-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The IUPAC name of N-(1-amino-4-methyl-1-oxopentan-2-yl)-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide (CID 78010189) is N-(1-amino-4-methyl-1-oxopentan-2-yl)-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-amino-4-methyl-1-oxopentan-2-yl)-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-amino-4-methyl-1-oxopentan-2-yl)-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide is CC(C)CC(NC(=O)c1ccc(C2CC2)c(S(=O)(=O)CC(C)C)n1)C(N)=O.
What is the InChIKey of N-(1-amino-4-methyl-1-oxopentan-2-yl)-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The InChIKey is KUSGPJJCAMKZRI-UHFFFAOYSA-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).
What are the key properties of N-(1-amino-4-methyl-1-oxopentan-2-yl)-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
N-(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-(1-amino-4-methyl-1-oxopentan-2-yl)-5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide is sourced from PubChem (CID 78010189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).