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

C19H22FN3O2 — CID 71087830

IUPACN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-fluorophenyl)pyridine-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1cccc(-c2cccc(F)c2)n1)C(C)(C)C
InChIInChI=1S/C19H22FN3O2/c1-19(2,3)16(18(25)21-4)23-17(24)15-10-6-9-14(22-15)12-7-5-8-13(20)11-12/h5-11,16H,1-4H3,(H,21,25)(H,23,24)/t16-/m1/s1
InChIKeyYJOVMDYYBGIRNV-MRXNPFEDSA-N
MW343.40 g/mol
LogP2.78
Rot. Bonds4

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

N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-fluorophenyl)pyridine-2-carboxamide (PubChem CID 71087830) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-fluorophenyl)pyridine-2-carboxamide
PubChem CID71087830
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-fluorophenyl)pyridine-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1cccc(-c2cccc(F)c2)n1)C(C)(C)C
InChIInChI=1S/C19H22FN3O2/c1-19(2,3)16(18(25)21-4)23-17(24)15-10-6-9-14(22-15)12-7-5-8-13(20)11-12/h5-11,16H,1-4H3,(H,21,25)(H,23,24)/t16-/m1/s1
InChIKeyYJOVMDYYBGIRNV-MRXNPFEDSA-N
XLogP2.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-fluorophenyl)pyridine-2-carboxamide (CID 71087830) is N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-fluorophenyl)pyridine-2-carboxamide is CNC(=O)[C@@H](NC(=O)c1cccc(-c2cccc(F)c2)n1)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is YJOVMDYYBGIRNV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-19(2,3)16(18(25)21-4)23-17(24)15-10-6-9-14(22-15)12-7-5-8-13(20)11-12/h5-11,16H,1-4H3,(H,21,25)(H,23,24)/t16-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-fluorophenyl)pyridine-2-carboxamide?
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 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-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 71087830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).