N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide

C15H25N3O2 — CID 164636706

IUPACN-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(C(=O)N[C@@H](CC(C)C)CN(C)C)[nH]c(=O)c1
InChIInChI=1S/C15H25N3O2/c1-10(2)6-12(9-18(4)5)16-15(20)13-7-11(3)8-14(19)17-13/h7-8,10,12H,6,9H2,1-5H3,(H,16,20)(H,17,19)/t12-/m0/s1
InChIKeyZZETYAJPBWPVFE-LBPRGKRZSA-N
MW279.38 g/mol
LogP1.39
Rot. Bonds6

About N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide

N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 164636706) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide
PubChem CID164636706
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(C(=O)N[C@@H](CC(C)C)CN(C)C)[nH]c(=O)c1
InChIInChI=1S/C15H25N3O2/c1-10(2)6-12(9-18(4)5)16-15(20)13-7-11(3)8-14(19)17-13/h7-8,10,12H,6,9H2,1-5H3,(H,16,20)(H,17,19)/t12-/m0/s1
InChIKeyZZETYAJPBWPVFE-LBPRGKRZSA-N
XLogP1.39
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide (CID 164636706) is N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide is Cc1cc(C(=O)N[C@@H](CC(C)C)CN(C)C)[nH]c(=O)c1.
What is the InChIKey of N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is ZZETYAJPBWPVFE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(2)6-12(9-18(4)5)16-15(20)13-7-11(3)8-14(19)17-13/h7-8,10,12H,6,9H2,1-5H3,(H,16,20)(H,17,19)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide?
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 164636706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).