N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide

C22H26FN3O2 — CID 71105630

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)C(N)=O
InChIInChI=1S/C22H26FN3O2/c1-13(2)11-20(21(24)27)26-22(28)18-10-9-17(15-5-6-15)19(25-18)12-14-3-7-16(23)8-4-14/h3-4,7-10,13,15,20H,5-6,11-12H2,1-2H3,(H2,24,27)(H,26,28)/t20-/m0/s1
InChIKeyYTIPRQCWHLGCLN-FQEVSTJZSA-N
MW383.47 g/mol
LogP3.32
Rot. Bonds8

About N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 71105630) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID71105630
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)C(N)=O
InChIInChI=1S/C22H26FN3O2/c1-13(2)11-20(21(24)27)26-22(28)18-10-9-17(15-5-6-15)19(25-18)12-14-3-7-16(23)8-4-14/h3-4,7-10,13,15,20H,5-6,11-12H2,1-2H3,(H2,24,27)(H,26,28)/t20-/m0/s1
InChIKeyYTIPRQCWHLGCLN-FQEVSTJZSA-N
XLogP3.32
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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VU0424465
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2-N,6-N-bis(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
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6-benzyl-N4-((1r,3r)-3-hydroxycyclobutyl)-N2-methylpyridine-2,4-dicarboxamide
CID 132167406
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CID 132185545
6-benzyl-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
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CID 24861238
CID 24861238
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 46179491
N-(4-((1R,3S)-3-aminocyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (CID 71105630) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is CC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is YTIPRQCWHLGCLN-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-13(2)11-20(21(24)27)26-22(28)18-10-9-17(15-5-6-15)19(25-18)12-14-3-7-16(23)8-4-14/h3-4,7-10,13,15,20H,5-6,11-12H2,1-2H3,(H2,24,27)(H,26,28)/t20-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 71105630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).