N-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide

C15H13N5O3 — CID 172855459

IUPACN-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
SMILESCOc1ncc(NC(=O)c2cc3ccccc3nn2)c(OC)n1
InChIInChI=1S/C15H13N5O3/c1-22-14-12(8-16-15(18-14)23-2)17-13(21)11-7-9-5-3-4-6-10(9)19-20-11/h3-8H,1-2H3,(H,17,21)
InChIKeyYQHYREUPBFFNMU-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.69
Rot. Bonds4

About N-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide

N-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide (PubChem CID 172855459) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
PubChem CID172855459
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC NameN-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
SMILESCOc1ncc(NC(=O)c2cc3ccccc3nn2)c(OC)n1
InChIInChI=1S/C15H13N5O3/c1-22-14-12(8-16-15(18-14)23-2)17-13(21)11-7-9-5-3-4-6-10(9)19-20-11/h3-8H,1-2H3,(H,17,21)
InChIKeyYQHYREUPBFFNMU-UHFFFAOYSA-N
XLogP1.69
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide
CID 122304064
N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122304031
N-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide
CID 71807571
5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide
CID 71807581
N-(2,4-dimethoxypyrimidin-5-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122304066
4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide
CID 122303930
N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 122304022
N-(2,4-dimethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide
CID 122304049
N-pyridin-2-ylcinnoline-3-carboxamide
CID 110705167
4-bromo-N-(2,4-dimethoxypyrimidin-5-yl)thiophene-2-carboxamide
CID 122304110
N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122304021
N-(2,4-dimethoxypyrimidin-5-yl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 122304138

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide (CID 172855459) is N-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide is COc1ncc(NC(=O)c2cc3ccccc3nn2)c(OC)n1.
What is the InChIKey of N-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide?
The InChIKey is YQHYREUPBFFNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c1-22-14-12(8-16-15(18-14)23-2)17-13(21)11-7-9-5-3-4-6-10(9)19-20-11/h3-8H,1-2H3,(H,17,21).
What are the key properties of N-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide?
N-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide has a molecular weight of 311.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide is sourced from PubChem (CID 172855459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).