N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide

C21H20FN3O2 — CID 53380065

IUPACN-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide
SMILESCOc1cc(F)ccc1-c1ccnc(NC(=O)C(C)Cc2cccnc2)c1
InChIInChI=1S/C21H20FN3O2/c1-14(10-15-4-3-8-23-13-15)21(26)25-20-11-16(7-9-24-20)18-6-5-17(22)12-19(18)27-2/h3-9,11-14H,10H2,1-2H3,(H,24,25,26)
InChIKeyFCSIGXOZJMHUAG-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.11
Rot. Bonds6

About N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide

N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide (PubChem CID 53380065) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide
PubChem CID53380065
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide
SMILESCOc1cc(F)ccc1-c1ccnc(NC(=O)C(C)Cc2cccnc2)c1
InChIInChI=1S/C21H20FN3O2/c1-14(10-15-4-3-8-23-13-15)21(26)25-20-11-16(7-9-24-20)18-6-5-17(22)12-19(18)27-2/h3-9,11-14H,10H2,1-2H3,(H,24,25,26)
InChIKeyFCSIGXOZJMHUAG-UHFFFAOYSA-N
XLogP4.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-4-ylpropanamide
CID 53380063
N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-pyridin-4-ylacetamide
CID 53379885
2-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide
CID 140628303
2-cyclohexyl-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide
CID 53379793
N-[4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-thiophen-2-ylpropanamide
CID 58432610
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 59509147
2-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylpropanamide
CID 110296494
N-[(1S)-1-[4-(3-fluorophenyl)-3-methoxyphenyl]ethyl]pyridine-3-carboxamide
CID 140571963
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide
CID 110296450
N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 54582823
(2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide
CID 174678732
3-[3-(2-methoxyethoxy)-4-pyridin-3-ylphenyl]-2-methylpropanehydrazide;hydrochloride
CID 174586008

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide (CID 53380065) is N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide is COc1cc(F)ccc1-c1ccnc(NC(=O)C(C)Cc2cccnc2)c1.
What is the InChIKey of N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide?
The InChIKey is FCSIGXOZJMHUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-14(10-15-4-3-8-23-13-15)21(26)25-20-11-16(7-9-24-20)18-6-5-17(22)12-19(18)27-2/h3-9,11-14H,10H2,1-2H3,(H,24,25,26).
What are the key properties of N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide?
N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide has a molecular weight of 365.41 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 53380065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).