N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide

C24H24FN3O3 — CID 56643902

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O
InChIInChI=1S/C24H24FN3O3/c1-15(2)14-22(23(26)29)28-24(30)21-5-3-4-20(27-21)16-6-10-18(11-7-16)31-19-12-8-17(25)9-13-19/h3-13,15,22H,14H2,1-2H3,(H2,26,29)(H,28,30)/t22-/m0/s1
InChIKeyRATSJQACMMGHFQ-QFIPXVFZSA-N
MW421.47 g/mol
LogP4.31
Rot. Bonds8

About N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (PubChem CID 56643902) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
PubChem CID56643902
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O
InChIInChI=1S/C24H24FN3O3/c1-15(2)14-22(23(26)29)28-24(30)21-5-3-4-20(27-21)16-6-10-18(11-7-16)31-19-12-8-17(25)9-13-19/h3-13,15,22H,14H2,1-2H3,(H2,26,29)(H,28,30)/t22-/m0/s1
InChIKeyRATSJQACMMGHFQ-QFIPXVFZSA-N
XLogP4.31
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 132010322
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5-(4-((Phenethylamino)methyl)phenoxy)picolinamide
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N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
Furan-2-carboxamide deriv., 10
CID 44236897
6-(4-(2-(Benzylamino)ethyl)phenoxy)picolinamide
CID 44434931
(4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol
CID 71522495
6-Methyl-4-(2-Phenoxyphenyl)-1,6-Dihydro-7h-Pyrrolo[2,3-C]pyridin-7-One
CID 71616297
3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118498201

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (CID 56643902) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is CC(C)C[C@H](NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is RATSJQACMMGHFQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-15(2)14-22(23(26)29)28-24(30)21-5-3-4-20(27-21)16-6-10-18(11-7-16)31-19-12-8-17(25)9-13-19/h3-13,15,22H,14H2,1-2H3,(H2,26,29)(H,28,30)/t22-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 421.47 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 56643902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).