N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide

C22H24N4O4 — CID 156585394

IUPACN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2c(OCc3ccccc3)c(=O)ccn2C)c(=O)n1
InChIInChI=1S/C22H24N4O4/c1-15-13-16(2)26(22(29)24-15)12-10-23-21(28)19-20(18(27)9-11-25(19)3)30-14-17-7-5-4-6-8-17/h4-9,11,13H,10,12,14H2,1-3H3,(H,23,28)
InChIKeyGHVFMRAKKAHSMJ-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.57
Rot. Bonds7

About N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide (PubChem CID 156585394) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
PubChem CID156585394
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2c(OCc3ccccc3)c(=O)ccn2C)c(=O)n1
InChIInChI=1S/C22H24N4O4/c1-15-13-16(2)26(22(29)24-15)12-10-23-21(28)19-20(18(27)9-11-25(19)3)30-14-17-7-5-4-6-8-17/h4-9,11,13H,10,12,14H2,1-3H3,(H,23,28)
InChIKeyGHVFMRAKKAHSMJ-UHFFFAOYSA-N
XLogP1.57
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide (CID 156585394) is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide is Cc1cc(C)n(CCNC(=O)c2c(OCc3ccccc3)c(=O)ccn2C)c(=O)n1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The InChIKey is GHVFMRAKKAHSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-15-13-16(2)26(22(29)24-15)12-10-23-21(28)19-20(18(27)9-11-25(19)3)30-14-17-7-5-4-6-8-17/h4-9,11,13H,10,12,14H2,1-3H3,(H,23,28).
What are the key properties of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 156585394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).