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

C21H26FN3O2 — CID 71105692

IUPACN-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCNC(=O)[C@H](CC(C)(C)C)NC(=O)c1cccc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C21H26FN3O2/c1-21(2,3)13-18(19(26)23-4)25-20(27)17-7-5-6-16(24-17)12-14-8-10-15(22)11-9-14/h5-11,18H,12-13H2,1-4H3,(H,23,26)(H,25,27)/t18-/m0/s1
InChIKeyUUVJLQSBOAICCA-SFHVURJKSA-N
MW371.46 g/mol
LogP3.09
Rot. Bonds6

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

N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 71105692) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID71105692
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCNC(=O)[C@H](CC(C)(C)C)NC(=O)c1cccc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C21H26FN3O2/c1-21(2,3)13-18(19(26)23-4)25-20(27)17-7-5-6-16(24-17)12-14-8-10-15(22)11-9-14/h5-11,18H,12-13H2,1-4H3,(H,23,26)(H,25,27)/t18-/m0/s1
InChIKeyUUVJLQSBOAICCA-SFHVURJKSA-N
XLogP3.09
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (CID 71105692) is N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is CNC(=O)[C@H](CC(C)(C)C)NC(=O)c1cccc(Cc2ccc(F)cc2)n1.
What is the InChIKey of N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is UUVJLQSBOAICCA-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-21(2,3)13-18(19(26)23-4)25-20(27)17-7-5-6-16(24-17)12-14-8-10-15(22)11-9-14/h5-11,18H,12-13H2,1-4H3,(H,23,26)(H,25,27)/t18-/m0/s1.
What are the key properties of N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 71105692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).