N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride

C18H24ClN3O2 — CID 119607556

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-12(2)18(3,11-19)21-17(23)14-9-10-15(20-16(14)22)13-7-5-4-6-8-13;/h4-10,12H,11,19H2,1-3H3,(H,20,22)(H,21,23);1H
InChIKeyYSCIIWCPFSZVFF-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.57
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride (PubChem CID 119607556) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride
PubChem CID119607556
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-12(2)18(3,11-19)21-17(23)14-9-10-15(20-16(14)22)13-7-5-4-6-8-13;/h4-10,12H,11,19H2,1-3H3,(H,20,22)(H,21,23);1H
InChIKeyYSCIIWCPFSZVFF-UHFFFAOYSA-N
XLogP2.57
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride (CID 119607556) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride is CC(C)C(C)(CN)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride?
The InChIKey is YSCIIWCPFSZVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.ClH/c1-12(2)18(3,11-19)21-17(23)14-9-10-15(20-16(14)22)13-7-5-4-6-8-13;/h4-10,12H,11,19H2,1-3H3,(H,20,22)(H,21,23);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride has a molecular weight of 349.86 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119607556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).