4-(cyclopropylmethoxy)-N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide

C27H29FN2O5 — CID 144580146

IUPAC4-(cyclopropylmethoxy)-N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCC1CC1
InChIInChI=1S/C27H29FN2O5/c1-16-12-18(6-8-20(16)28)26-24(33-2)11-9-21(30-26)22(31)14-29-27(32)19-7-10-23(25(13-19)34-3)35-15-17-4-5-17/h6-13,17,22,31H,4-5,14-15H2,1-3H3,(H,29,32)
InChIKeyDGUMPRUPUSLLPL-UHFFFAOYSA-N
MW480.54 g/mol
LogP4.47
Rot. Bonds10

About 4-(cyclopropylmethoxy)-N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide

4-(cyclopropylmethoxy)-N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide (PubChem CID 144580146) has the molecular formula C27H29FN2O5 and a molecular weight of 480.54 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide
PubChem CID144580146
Molecular FormulaC27H29FN2O5
Molecular Weight480.54 g/mol
Exact Mass480.21
IUPAC Name4-(cyclopropylmethoxy)-N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCC1CC1
InChIInChI=1S/C27H29FN2O5/c1-16-12-18(6-8-20(16)28)26-24(33-2)11-9-21(30-26)22(31)14-29-27(32)19-7-10-23(25(13-19)34-3)35-15-17-4-5-17/h6-13,17,22,31H,4-5,14-15H2,1-3H3,(H,29,32)
InChIKeyDGUMPRUPUSLLPL-UHFFFAOYSA-N
XLogP4.47
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(cyclopropylmethoxy)-N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide with MolForge

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Related Compounds

1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione
CID 167601025
N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide
CID 131981947
1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one
CID 159246010
N-[2-[5-ethyl-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-propoxybenzamide
CID 166672044
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoropropyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide
CID 123829576
4-(2-fluoroethoxy)-N-[2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propyl]-3-methoxybenzamide
CID 144795793
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-hydroxypropyl]-4-(2,2-difluorocyclopropyl)oxy-3-methoxybenzamide
CID 134323449
N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide
CID 122140846
(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one
CID 158950146
2-[(1S)-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-methylcyclopentyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanone
CID 167624523
(2S)-1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-2-methylbutane-1,4-dione
CID 167569129
N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide
CID 63298880

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide (CID 144580146) is 4-(cyclopropylmethoxy)-N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide is COc1cc(C(=O)NCC(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCC1CC1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide?
The InChIKey is DGUMPRUPUSLLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O5/c1-16-12-18(6-8-20(16)28)26-24(33-2)11-9-21(30-26)22(31)14-29-27(32)19-7-10-23(25(13-19)34-3)35-15-17-4-5-17/h6-13,17,22,31H,4-5,14-15H2,1-3H3,(H,29,32).
What are the key properties of 4-(cyclopropylmethoxy)-N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide?
4-(cyclopropylmethoxy)-N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide has a molecular weight of 480.54 g/mol, XLogP of 4.47, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide is sourced from PubChem (CID 144580146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).