6-(3-fluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide

C19H22FN3O2 — CID 71087622

IUPAC6-(3-fluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)c1cccc(-c2cccc(F)c2)n1
InChIInChI=1S/C19H22FN3O2/c1-12(2)10-17(18(24)21-3)23-19(25)16-9-5-8-15(22-16)13-6-4-7-14(20)11-13/h4-9,11-12,17H,10H2,1-3H3,(H,21,24)(H,23,25)/t17-/m0/s1
InChIKeyBWIKOKDINCKYTF-KRWDZBQOSA-N
MW343.40 g/mol
LogP2.78
Rot. Bonds6

About 6-(3-fluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide

6-(3-fluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide (PubChem CID 71087622) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide
PubChem CID71087622
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name6-(3-fluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)c1cccc(-c2cccc(F)c2)n1
InChIInChI=1S/C19H22FN3O2/c1-12(2)10-17(18(24)21-3)23-19(25)16-9-5-8-15(22-16)13-6-4-7-14(20)11-13/h4-9,11-12,17H,10H2,1-3H3,(H,21,24)(H,23,25)/t17-/m0/s1
InChIKeyBWIKOKDINCKYTF-KRWDZBQOSA-N
XLogP2.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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 6-(3-fluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide (CID 71087622) is 6-(3-fluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide is CNC(=O)[C@H](CC(C)C)NC(=O)c1cccc(-c2cccc(F)c2)n1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide?
The InChIKey is BWIKOKDINCKYTF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-12(2)10-17(18(24)21-3)23-19(25)16-9-5-8-15(22-16)13-6-4-7-14(20)11-13/h4-9,11-12,17H,10H2,1-3H3,(H,21,24)(H,23,25)/t17-/m0/s1.
What are the key properties of 6-(3-fluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide?
6-(3-fluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71087622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).