N-(2-aminoethyl)-1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide

C23H25N3O3 — CID 59303461

IUPACN-(2-aminoethyl)-1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCN)c(OCc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C23H25N3O3/c1-17-14-20(22(27)25-13-12-24)21(29-16-19-10-6-3-7-11-19)23(28)26(17)15-18-8-4-2-5-9-18/h2-11,14H,12-13,15-16,24H2,1H3,(H,25,27)
InChIKeyGEVIFHVRDOGBPG-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.47
Rot. Bonds8

About N-(2-aminoethyl)-1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide

N-(2-aminoethyl)-1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide (PubChem CID 59303461) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide
PubChem CID59303461
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-(2-aminoethyl)-1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCN)c(OCc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C23H25N3O3/c1-17-14-20(22(27)25-13-12-24)21(29-16-19-10-6-3-7-11-19)23(28)26(17)15-18-8-4-2-5-9-18/h2-11,14H,12-13,15-16,24H2,1H3,(H,25,27)
InChIKeyGEVIFHVRDOGBPG-UHFFFAOYSA-N
XLogP2.47
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide (CID 59303461) is N-(2-aminoethyl)-1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide is Cc1cc(C(=O)NCCN)c(OCc2ccccc2)c(=O)n1Cc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide?
The InChIKey is GEVIFHVRDOGBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17-14-20(22(27)25-13-12-24)21(29-16-19-10-6-3-7-11-19)23(28)26(17)15-18-8-4-2-5-9-18/h2-11,14H,12-13,15-16,24H2,1H3,(H,25,27).
What are the key properties of N-(2-aminoethyl)-1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide?
N-(2-aminoethyl)-1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide is sourced from PubChem (CID 59303461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).