N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-2,5-difluorophenyl]-2-pyridinyl]acetamide

C19H23F2N3O2 — CID 118420154

IUPACN-[4-[4-[(2S)-2-amino-4-methylpentoxy]-2,5-difluorophenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(F)c(OC[C@@H](N)CC(C)C)cc2F)ccn1
InChIInChI=1S/C19H23F2N3O2/c1-11(2)6-14(22)10-26-18-9-16(20)15(8-17(18)21)13-4-5-23-19(7-13)24-12(3)25/h4-5,7-9,11,14H,6,10,22H2,1-3H3,(H,23,24,25)/t14-/m0/s1
InChIKeyKCBBDWLXBHSCCC-AWEZNQCLSA-N
MW363.41 g/mol
LogP3.74
Rot. Bonds7

About N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-2,5-difluorophenyl]-2-pyridinyl]acetamide

N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-2,5-difluorophenyl]-2-pyridinyl]acetamide (PubChem CID 118420154) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-2,5-difluorophenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(2S)-2-amino-4-methylpentoxy]-2,5-difluorophenyl]-2-pyridinyl]acetamide
PubChem CID118420154
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC NameN-[4-[4-[(2S)-2-amino-4-methylpentoxy]-2,5-difluorophenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(F)c(OC[C@@H](N)CC(C)C)cc2F)ccn1
InChIInChI=1S/C19H23F2N3O2/c1-11(2)6-14(22)10-26-18-9-16(20)15(8-17(18)21)13-4-5-23-19(7-13)24-12(3)25/h4-5,7-9,11,14H,6,10,22H2,1-3H3,(H,23,24,25)/t14-/m0/s1
InChIKeyKCBBDWLXBHSCCC-AWEZNQCLSA-N
XLogP3.74
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Chloropyridin-2-yl)-3-[2-(3-ethoxy-2,6-difluorophenyl)cyclopropyl]urea
CID 468174
3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
[({4-[4-(Propan-2-Yloxy)phenyl]pyridin-2-Yl}amino)methanediyl]bis(Phosphonic Acid)
CID 54674305
2-Pyridinamine, 4-(4-methoxyphenyl)-
CID 82397500
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]pyridin-2-amine
CID 9880373
US10155760, Example 23
CID 118419711
US10155760, Example 6
CID 118419763
US10155760, Example 3
CID 118419786
US10155760, Example 19
CID 118419969
US10155760, Example 21
CID 118420000
US10155760, Example 2
CID 118420021
US10155760, Example 27
CID 118420285

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-2,5-difluorophenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-2,5-difluorophenyl]-2-pyridinyl]acetamide (CID 118420154) is N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-2,5-difluorophenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-2,5-difluorophenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-2,5-difluorophenyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cc(F)c(OC[C@@H](N)CC(C)C)cc2F)ccn1.
What is the InChIKey of N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-2,5-difluorophenyl]-2-pyridinyl]acetamide?
The InChIKey is KCBBDWLXBHSCCC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-11(2)6-14(22)10-26-18-9-16(20)15(8-17(18)21)13-4-5-23-19(7-13)24-12(3)25/h4-5,7-9,11,14H,6,10,22H2,1-3H3,(H,23,24,25)/t14-/m0/s1.
What are the key properties of N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-2,5-difluorophenyl]-2-pyridinyl]acetamide?
N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-2,5-difluorophenyl]-2-pyridinyl]acetamide has a molecular weight of 363.41 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-2,5-difluorophenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118420154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).