N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-methoxyphenyl)pyridine-2-carboxamide

C20H25N3O3 — CID 71087977

IUPACN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-methoxyphenyl)pyridine-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1cccc(-c2cccc(OC)c2)n1)C(C)(C)C
InChIInChI=1S/C20H25N3O3/c1-20(2,3)17(19(25)21-4)23-18(24)16-11-7-10-15(22-16)13-8-6-9-14(12-13)26-5/h6-12,17H,1-5H3,(H,21,25)(H,23,24)/t17-/m1/s1
InChIKeyCELSVJRFZCVCSS-QGZVFWFLSA-N
MW355.44 g/mol
LogP2.65
Rot. Bonds5

About N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-methoxyphenyl)pyridine-2-carboxamide

N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 71087977) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-methoxyphenyl)pyridine-2-carboxamide
PubChem CID71087977
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-methoxyphenyl)pyridine-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1cccc(-c2cccc(OC)c2)n1)C(C)(C)C
InChIInChI=1S/C20H25N3O3/c1-20(2,3)17(19(25)21-4)23-18(24)16-11-7-10-15(22-16)13-8-6-9-14(12-13)26-5/h6-12,17H,1-5H3,(H,21,25)(H,23,24)/t17-/m1/s1
InChIKeyCELSVJRFZCVCSS-QGZVFWFLSA-N
XLogP2.65
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-methoxyphenyl)pyridine-2-carboxamide (CID 71087977) is N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-methoxyphenyl)pyridine-2-carboxamide is CNC(=O)[C@@H](NC(=O)c1cccc(-c2cccc(OC)c2)n1)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is CELSVJRFZCVCSS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-20(2,3)17(19(25)21-4)23-18(24)16-11-7-10-15(22-16)13-8-6-9-14(12-13)26-5/h6-12,17H,1-5H3,(H,21,25)(H,23,24)/t17-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-methoxyphenyl)pyridine-2-carboxamide?
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 71087977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).