N-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide

C17H21N3O2 — CID 124559390

IUPACN-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccc(-c2ccncc2)[nH]c1=O)C(C)(C)C
InChIInChI=1S/C17H21N3O2/c1-11(17(2,3)4)19-15(21)13-5-6-14(20-16(13)22)12-7-9-18-10-8-12/h5-11H,1-4H3,(H,19,21)(H,20,22)/t11-/m0/s1
InChIKeyMPMBULMMHBRAFM-NSHDSACASA-N
MW299.37 g/mol
LogP2.60
Rot. Bonds3

About N-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide

N-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide (PubChem CID 124559390) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
PubChem CID124559390
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccc(-c2ccncc2)[nH]c1=O)C(C)(C)C
InChIInChI=1S/C17H21N3O2/c1-11(17(2,3)4)19-15(21)13-5-6-14(20-16(13)22)12-7-9-18-10-8-12/h5-11H,1-4H3,(H,19,21)(H,20,22)/t11-/m0/s1
InChIKeyMPMBULMMHBRAFM-NSHDSACASA-N
XLogP2.60
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-(2-methoxyethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 129352938
N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 125478368
ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid
CID 91141021
6-(4-chlorophenyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
CID 66497750
2-oxo-6-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-1H-pyridine-3-carboxamide
CID 95975984
6-(4-methylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 66497649
N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 138041610
N-[2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 167802809
6-(4-fluorophenyl)-N-(2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491162
N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111484299
3-[(1R)-1-aminoethyl]-6-pyridin-4-yl-1H-pyridin-2-one
CID 129448563
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 97142637

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide (CID 124559390) is N-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide is C[C@H](NC(=O)c1ccc(-c2ccncc2)[nH]c1=O)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide?
The InChIKey is MPMBULMMHBRAFM-NSHDSACASA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11(17(2,3)4)19-15(21)13-5-6-14(20-16(13)22)12-7-9-18-10-8-12/h5-11H,1-4H3,(H,19,21)(H,20,22)/t11-/m0/s1.
What are the key properties of N-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide?
N-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 124559390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).