N-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide

C28H26FN3O3 — CID 177460304

IUPACN-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2ccccc2)ccc1OCCF
InChIInChI=1S/C28H26FN3O3/c1-19-12-22(17-30-15-19)23-14-24(27(31-18-23)21-6-4-3-5-7-21)28(33)32-16-20-8-9-25(35-11-10-29)26(13-20)34-2/h3-9,12-15,17-18H,10-11,16H2,1-2H3,(H,32,33)
InChIKeyZVIVDNRFQYRBLS-UHFFFAOYSA-N
MW471.53 g/mol
LogP5.41
Rot. Bonds9

About N-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide

N-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide (PubChem CID 177460304) has the molecular formula C28H26FN3O3 and a molecular weight of 471.53 g/mol. Its IUPAC name is N-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide
PubChem CID177460304
Molecular FormulaC28H26FN3O3
Molecular Weight471.53 g/mol
Exact Mass471.20
IUPAC NameN-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2ccccc2)ccc1OCCF
InChIInChI=1S/C28H26FN3O3/c1-19-12-22(17-30-15-19)23-14-24(27(31-18-23)21-6-4-3-5-7-21)28(33)32-16-20-8-9-25(35-11-10-29)26(13-20)34-2/h3-9,12-15,17-18H,10-11,16H2,1-2H3,(H,32,33)
InChIKeyZVIVDNRFQYRBLS-UHFFFAOYSA-N
XLogP5.41
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.53
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid;hydrochloride
CID 159505964
N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683588
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 53080400
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060903
N-ethyl-2-phenyl-5-pyridin-3-ylpyridine-3-carboxamide
CID 58539044
N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261874
2-(1-amino-3-methyliminoprop-1-en-2-yl)-N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-5-(5-methyl-3-pyridinyl)benzamide
CID 173282270
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 38934279
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55762586
2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide
CID 110410764

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide?
The IUPAC name of N-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide (CID 177460304) is N-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide is COc1cc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2ccccc2)ccc1OCCF.
What is the InChIKey of N-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide?
The InChIKey is ZVIVDNRFQYRBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O3/c1-19-12-22(17-30-15-19)23-14-24(27(31-18-23)21-6-4-3-5-7-21)28(33)32-16-20-8-9-25(35-11-10-29)26(13-20)34-2/h3-9,12-15,17-18H,10-11,16H2,1-2H3,(H,32,33).
What are the key properties of N-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide?
N-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide has a molecular weight of 471.53 g/mol, XLogP of 5.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide is sourced from PubChem (CID 177460304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).