N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(2-methylpropylamino)-4-pyridinyl]phenyl]acetamide

C23H24FN3O2 — CID 137290680

IUPACN-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(2-methylpropylamino)-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(NCC(C)C)nc(-c3cc(F)ccc3O)c2)cc1
InChIInChI=1S/C23H24FN3O2/c1-14(2)13-25-23-11-17(16-4-7-19(8-5-16)26-15(3)28)10-21(27-23)20-12-18(24)6-9-22(20)29/h4-12,14,29H,13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyWSVUROYXHIVFEL-UHFFFAOYSA-N
MW393.46 g/mol
LogP5.29
Rot. Bonds6

About N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(2-methylpropylamino)-4-pyridinyl]phenyl]acetamide

N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(2-methylpropylamino)-4-pyridinyl]phenyl]acetamide (PubChem CID 137290680) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(2-methylpropylamino)-4-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(2-methylpropylamino)-4-pyridinyl]phenyl]acetamide
PubChem CID137290680
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC NameN-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(2-methylpropylamino)-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(NCC(C)C)nc(-c3cc(F)ccc3O)c2)cc1
InChIInChI=1S/C23H24FN3O2/c1-14(2)13-25-23-11-17(16-4-7-19(8-5-16)26-15(3)28)10-21(27-23)20-12-18(24)6-9-22(20)29/h4-12,14,29H,13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyWSVUROYXHIVFEL-UHFFFAOYSA-N
XLogP5.29
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(3-hydroxypropylamino)-4-pyridinyl]phenyl]acetamide
CID 137290687
N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-[(4-methylcyclohexyl)amino]-4-pyridinyl]phenyl]acetamide
CID 137290692
N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812
2-[4-(4-chloro-3-fluorophenyl)-6-(2-methylpropylamino)-2-pyridinyl]-5-methoxyphenol
CID 137290851
2-[4-(2,6-dichlorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-fluorophenol
CID 137290814
2-[4-(3-fluorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-4-methylphenol
CID 137306873
1-(4-fluorophenyl)-3-(2-methylpropyl)urea
CID 17390126
2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362017
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852390
2-[4-[bis(2-methylpropyl)amino]-3-[(4-methylphenyl)carbamoylamino]phenyl]-4-fluorobenzoic acid
CID 121469094
3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024101

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(2-methylpropylamino)-4-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(2-methylpropylamino)-4-pyridinyl]phenyl]acetamide (CID 137290680) is N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(2-methylpropylamino)-4-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(2-methylpropylamino)-4-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(2-methylpropylamino)-4-pyridinyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cc(NCC(C)C)nc(-c3cc(F)ccc3O)c2)cc1.
What is the InChIKey of N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(2-methylpropylamino)-4-pyridinyl]phenyl]acetamide?
The InChIKey is WSVUROYXHIVFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-14(2)13-25-23-11-17(16-4-7-19(8-5-16)26-15(3)28)10-21(27-23)20-12-18(24)6-9-22(20)29/h4-12,14,29H,13H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(2-methylpropylamino)-4-pyridinyl]phenyl]acetamide?
N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(2-methylpropylamino)-4-pyridinyl]phenyl]acetamide has a molecular weight of 393.46 g/mol, XLogP of 5.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(2-methylpropylamino)-4-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 137290680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).