N-(2,4-dimethoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide

C19H18N4O5 — CID 121026401

IUPACN-(2,4-dimethoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c[nH]c(=O)n(Cc3ccccn3)c2=O)c(OC)c1
InChIInChI=1S/C19H18N4O5/c1-27-13-6-7-15(16(9-13)28-2)22-17(24)14-10-21-19(26)23(18(14)25)11-12-5-3-4-8-20-12/h3-10H,11H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyYISIECWWGJZTLV-UHFFFAOYSA-N
MW382.38 g/mol
LogP1.25
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide

N-(2,4-dimethoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 121026401) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID121026401
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC NameN-(2,4-dimethoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c[nH]c(=O)n(Cc3ccccn3)c2=O)c(OC)c1
InChIInChI=1S/C19H18N4O5/c1-27-13-6-7-15(16(9-13)28-2)22-17(24)14-10-21-19(26)23(18(14)25)11-12-5-3-4-8-20-12/h3-10H,11H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyYISIECWWGJZTLV-UHFFFAOYSA-N
XLogP1.25
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2,4-dimethoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

methyl 2-[[2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 121026409
2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide
CID 121026572
N-(3-acetamidophenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026413
2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 121026444
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026385
N-(2,4-dimethoxyphenyl)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619927
2,4-dioxo-3-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide
CID 121026519
N-(6-methyl-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026488
N-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619553
N-(2,4-dimethoxyphenyl)-2-ethoxypyridine-3-carboxamide
CID 2110255
N-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 18104674
N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575307

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 121026401) is N-(2,4-dimethoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2c[nH]c(=O)n(Cc3ccccn3)c2=O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is YISIECWWGJZTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-27-13-6-7-15(16(9-13)28-2)22-17(24)14-10-21-19(26)23(18(14)25)11-12-5-3-4-8-20-12/h3-10H,11H2,1-2H3,(H,21,26)(H,22,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
N-(2,4-dimethoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 382.38 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121026401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).