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

C21H20FN3O2 — CID 53380063

IUPACN-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-4-ylpropanamide
SMILESCOc1cc(F)ccc1-c1ccnc(NC(=O)C(C)Cc2ccncc2)c1
InChIInChI=1S/C21H20FN3O2/c1-14(11-15-5-8-23-9-6-15)21(26)25-20-12-16(7-10-24-20)18-4-3-17(22)13-19(18)27-2/h3-10,12-14H,11H2,1-2H3,(H,24,25,26)
InChIKeyRUKCZNQLHWFHHP-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.11
Rot. Bonds6

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

N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-4-ylpropanamide (PubChem CID 53380063) 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-4-ylpropanamide.

Molecular Properties

Compound NameN-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-4-ylpropanamide
PubChem CID53380063
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-4-ylpropanamide
SMILESCOc1cc(F)ccc1-c1ccnc(NC(=O)C(C)Cc2ccncc2)c1
InChIInChI=1S/C21H20FN3O2/c1-14(11-15-5-8-23-9-6-15)21(26)25-20-12-16(7-10-24-20)18-4-3-17(22)13-19(18)27-2/h3-10,12-14H,11H2,1-2H3,(H,24,25,26)
InChIKeyRUKCZNQLHWFHHP-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-4-ylpropanamide (CID 53380063) is N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-4-ylpropanamide is COc1cc(F)ccc1-c1ccnc(NC(=O)C(C)Cc2ccncc2)c1.
What is the InChIKey of N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-4-ylpropanamide?
The InChIKey is RUKCZNQLHWFHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-14(11-15-5-8-23-9-6-15)21(26)25-20-12-16(7-10-24-20)18-4-3-17(22)13-19(18)27-2/h3-10,12-14H,11H2,1-2H3,(H,24,25,26).
What are the key properties of N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-4-ylpropanamide?
N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-4-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-4-ylpropanamide is sourced from PubChem (CID 53380063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).