N-[[1-[(4-methoxyphenyl)methyl]azetidin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide

C19H23N3O3 — CID 167892511

IUPACN-[[1-[(4-methoxyphenyl)methyl]azetidin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(CN2CCC2CNC(=O)c2cccn(C)c2=O)cc1
InChIInChI=1S/C19H23N3O3/c1-21-10-3-4-17(19(21)24)18(23)20-12-15-9-11-22(15)13-14-5-7-16(25-2)8-6-14/h3-8,10,15H,9,11-13H2,1-2H3,(H,20,23)
InChIKeyKDGOPFWHFCHUCN-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.40
Rot. Bonds6

About N-[[1-[(4-methoxyphenyl)methyl]azetidin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[[1-[(4-methoxyphenyl)methyl]azetidin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 167892511) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[[1-[(4-methoxyphenyl)methyl]azetidin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(4-methoxyphenyl)methyl]azetidin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID167892511
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[[1-[(4-methoxyphenyl)methyl]azetidin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(CN2CCC2CNC(=O)c2cccn(C)c2=O)cc1
InChIInChI=1S/C19H23N3O3/c1-21-10-3-4-17(19(21)24)18(23)20-12-15-9-11-22(15)13-14-5-7-16(25-2)8-6-14/h3-8,10,15H,9,11-13H2,1-2H3,(H,20,23)
InChIKeyKDGOPFWHFCHUCN-UHFFFAOYSA-N
XLogP1.40
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]azetidin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]azetidin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 167892511) is N-[[1-[(4-methoxyphenyl)methyl]azetidin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[(4-methoxyphenyl)methyl]azetidin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[[1-[(4-methoxyphenyl)methyl]azetidin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide is COc1ccc(CN2CCC2CNC(=O)c2cccn(C)c2=O)cc1.
What is the InChIKey of N-[[1-[(4-methoxyphenyl)methyl]azetidin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is KDGOPFWHFCHUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-21-10-3-4-17(19(21)24)18(23)20-12-15-9-11-22(15)13-14-5-7-16(25-2)8-6-14/h3-8,10,15H,9,11-13H2,1-2H3,(H,20,23).
What are the key properties of N-[[1-[(4-methoxyphenyl)methyl]azetidin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[[1-[(4-methoxyphenyl)methyl]azetidin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxyphenyl)methyl]azetidin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 167892511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).