N-[2-[5-ethyl-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-propoxybenzamide

C27H31FN2O4 — CID 166672044

IUPACN-[2-[5-ethyl-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC(O)c2cc(C)c(CC)c(-c3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C27H31FN2O4/c1-5-13-34-24-12-9-19(15-25(24)33-4)27(32)29-16-23(31)22-14-17(3)21(6-2)26(30-22)18-7-10-20(28)11-8-18/h7-12,14-15,23,31H,5-6,13,16H2,1-4H3,(H,29,32)
InChIKeyLYFCXPZXSWLFCS-UHFFFAOYSA-N
MW466.55 g/mol
LogP5.02
Rot. Bonds10

About N-[2-[5-ethyl-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-propoxybenzamide

N-[2-[5-ethyl-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-propoxybenzamide (PubChem CID 166672044) has the molecular formula C27H31FN2O4 and a molecular weight of 466.55 g/mol. Its IUPAC name is N-[2-[5-ethyl-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-[2-[5-ethyl-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-propoxybenzamide
PubChem CID166672044
Molecular FormulaC27H31FN2O4
Molecular Weight466.55 g/mol
Exact Mass466.23
IUPAC NameN-[2-[5-ethyl-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC(O)c2cc(C)c(CC)c(-c3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C27H31FN2O4/c1-5-13-34-24-12-9-19(15-25(24)33-4)27(32)29-16-23(31)22-14-17(3)21(6-2)26(30-22)18-7-10-20(28)11-8-18/h7-12,14-15,23,31H,5-6,13,16H2,1-4H3,(H,29,32)
InChIKeyLYFCXPZXSWLFCS-UHFFFAOYSA-N
XLogP5.02
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.55
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[5-ethyl-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-propoxybenzamide with MolForge

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Related Compounds

4-(cyclopropylmethoxy)-N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide
CID 144580146
4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 78800293
N'-(2,4-difluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440206
4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-2-pyridinyl]propyl]benzamide
CID 123769132
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-diethoxybenzamide
CID 90613391
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112791004
1-[(4-butoxy-3-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 86996503
N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621941
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxy-4-propoxybenzamide
CID 4876343
N-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide
CID 8639946
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide
CID 99903135

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-ethyl-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-propoxybenzamide?
The IUPAC name of N-[2-[5-ethyl-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-propoxybenzamide (CID 166672044) is N-[2-[5-ethyl-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-propoxybenzamide.
What is the SMILES notation for N-[2-[5-ethyl-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-propoxybenzamide?
The canonical SMILES for N-[2-[5-ethyl-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-propoxybenzamide is CCCOc1ccc(C(=O)NCC(O)c2cc(C)c(CC)c(-c3ccc(F)cc3)n2)cc1OC.
What is the InChIKey of N-[2-[5-ethyl-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-propoxybenzamide?
The InChIKey is LYFCXPZXSWLFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2O4/c1-5-13-34-24-12-9-19(15-25(24)33-4)27(32)29-16-23(31)22-14-17(3)21(6-2)26(30-22)18-7-10-20(28)11-8-18/h7-12,14-15,23,31H,5-6,13,16H2,1-4H3,(H,29,32).
What are the key properties of N-[2-[5-ethyl-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-propoxybenzamide?
N-[2-[5-ethyl-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-propoxybenzamide has a molecular weight of 466.55 g/mol, XLogP of 5.02, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-ethyl-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-propoxybenzamide is sourced from PubChem (CID 166672044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).