N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide

C17H26N4O2 — CID 119261032

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C17H26N4O2/c1-10(2)17(5,9-19)21-15(22)7-6-13-11(3)14(8-18)16(23)20-12(13)4/h10H,6-7,9,19H2,1-5H3,(H,20,23)(H,21,22)
InChIKeyLBTNUSOGIKNKIH-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.29
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide (PubChem CID 119261032) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
PubChem CID119261032
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C17H26N4O2/c1-10(2)17(5,9-19)21-15(22)7-6-13-11(3)14(8-18)16(23)20-12(13)4/h10H,6-7,9,19H2,1-5H3,(H,20,23)(H,21,22)
InChIKeyLBTNUSOGIKNKIH-UHFFFAOYSA-N
XLogP1.29
TPSA111.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide (CID 119261032) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(CN)C(C)C.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
The InChIKey is LBTNUSOGIKNKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-10(2)17(5,9-19)21-15(22)7-6-13-11(3)14(8-18)16(23)20-12(13)4/h10H,6-7,9,19H2,1-5H3,(H,20,23)(H,21,22).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide has a molecular weight of 318.42 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide is sourced from PubChem (CID 119261032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).