N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(methoxymethyl)-4-phenylmethoxypyridine-2-carboxamide

C24H25FN2O4 — CID 143248040

IUPACN-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(methoxymethyl)-4-phenylmethoxypyridine-2-carboxamide
SMILESCOCc1c(OCc2ccccc2)ccnc1C(=O)N(CCO)Cc1ccc(F)cc1
InChIInChI=1S/C24H25FN2O4/c1-30-17-21-22(31-16-19-5-3-2-4-6-19)11-12-26-23(21)24(29)27(13-14-28)15-18-7-9-20(25)10-8-18/h2-12,28H,13-17H2,1H3
InChIKeyMRAZJUHOPSBUSH-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.58
Rot. Bonds10

About N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(methoxymethyl)-4-phenylmethoxypyridine-2-carboxamide

N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(methoxymethyl)-4-phenylmethoxypyridine-2-carboxamide (PubChem CID 143248040) has the molecular formula C24H25FN2O4 and a molecular weight of 424.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(methoxymethyl)-4-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(methoxymethyl)-4-phenylmethoxypyridine-2-carboxamide
PubChem CID143248040
Molecular FormulaC24H25FN2O4
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(methoxymethyl)-4-phenylmethoxypyridine-2-carboxamide
SMILESCOCc1c(OCc2ccccc2)ccnc1C(=O)N(CCO)Cc1ccc(F)cc1
InChIInChI=1S/C24H25FN2O4/c1-30-17-21-22(31-16-19-5-3-2-4-6-19)11-12-26-23(21)24(29)27(13-14-28)15-18-7-9-20(25)10-8-18/h2-12,28H,13-17H2,1H3
InChIKeyMRAZJUHOPSBUSH-UHFFFAOYSA-N
XLogP3.58
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 110886937
4-[(4-fluorophenyl)methoxy]-3-hydroxypyridine-2-carboxylic acid
CID 19960336
N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-5,6-bis[(4-methoxyphenyl)methoxy]-2-(4-methylphenyl)pyrimidine-4-carboxamide
CID 59688020
N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 131943368
N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide
CID 61235842
2-[(4-fluorophenyl)methoxy]-N,N-dipropylbenzamide
CID 13073631
N-benzyl-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 78781458
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
N-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide
CID 23245673
N-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide
CID 18387292
N-benzyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-hydroxyethyl)acetamide
CID 78855212
N-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide
CID 71214650

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(methoxymethyl)-4-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(methoxymethyl)-4-phenylmethoxypyridine-2-carboxamide (CID 143248040) is N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(methoxymethyl)-4-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(methoxymethyl)-4-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(methoxymethyl)-4-phenylmethoxypyridine-2-carboxamide is COCc1c(OCc2ccccc2)ccnc1C(=O)N(CCO)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(methoxymethyl)-4-phenylmethoxypyridine-2-carboxamide?
The InChIKey is MRAZJUHOPSBUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4/c1-30-17-21-22(31-16-19-5-3-2-4-6-19)11-12-26-23(21)24(29)27(13-14-28)15-18-7-9-20(25)10-8-18/h2-12,28H,13-17H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(methoxymethyl)-4-phenylmethoxypyridine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(methoxymethyl)-4-phenylmethoxypyridine-2-carboxamide has a molecular weight of 424.47 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(methoxymethyl)-4-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 143248040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).