N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide

C14H21N3O3 — CID 121498105

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)N[C@@H](CC(C)C)C(N)=O)n1C
InChIInChI=1S/C14H21N3O3/c1-8(2)5-11(13(15)19)16-14(20)12-7-10(18)6-9(3)17(12)4/h6-8,11H,5H2,1-4H3,(H2,15,19)(H,16,20)/t11-/m0/s1
InChIKeyCUWUKZJWFBSCOP-NSHDSACASA-N
MW279.34 g/mol
LogP0.32
Rot. Bonds5

About N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide (PubChem CID 121498105) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide
PubChem CID121498105
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)N[C@@H](CC(C)C)C(N)=O)n1C
InChIInChI=1S/C14H21N3O3/c1-8(2)5-11(13(15)19)16-14(20)12-7-10(18)6-9(3)17(12)4/h6-8,11H,5H2,1-4H3,(H2,15,19)(H,16,20)/t11-/m0/s1
InChIKeyCUWUKZJWFBSCOP-NSHDSACASA-N
XLogP0.32
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide (CID 121498105) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide is Cc1cc(=O)cc(C(=O)N[C@@H](CC(C)C)C(N)=O)n1C.
What is the InChIKey of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide?
The InChIKey is CUWUKZJWFBSCOP-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8(2)5-11(13(15)19)16-14(20)12-7-10(18)6-9(3)17(12)4/h6-8,11H,5H2,1-4H3,(H2,15,19)(H,16,20)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide?
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 121498105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).