6-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyrimidine-4-carboxamide

C13H15N5O3 — CID 91628569

IUPAC6-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCCn2nc(C)ccc2=O)ncn1
InChIInChI=1S/C13H15N5O3/c1-9-3-4-12(19)18(17-9)6-5-14-13(20)10-7-11(21-2)16-8-15-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,20)
InChIKeyNBFJLLLIPQCYNW-UHFFFAOYSA-N
MW289.30 g/mol
LogP-0.22
Rot. Bonds5

About 6-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyrimidine-4-carboxamide

6-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyrimidine-4-carboxamide (PubChem CID 91628569) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 6-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyrimidine-4-carboxamide
PubChem CID91628569
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name6-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCCn2nc(C)ccc2=O)ncn1
InChIInChI=1S/C13H15N5O3/c1-9-3-4-12(19)18(17-9)6-5-14-13(20)10-7-11(21-2)16-8-15-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,20)
InChIKeyNBFJLLLIPQCYNW-UHFFFAOYSA-N
XLogP-0.22
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(dimethylamino)-N-ethyl-6-methoxypyrimidine-4-carboxamide
CID 122180007
6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 91628546
6-methoxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide
CID 91628503
2,6-dimethoxy-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-4-pyrimidinecarboxamide
CID 28909699
2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide
CID 46968258
6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 91816289
2,6-dimethoxy-N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]pyrimidine-4-carboxamide
CID 95229551
N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-6-methoxypyrimidine-4-carboxamide
CID 136565230
N-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-6-methoxypyrimidine-4-carboxamide
CID 164635280
6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 164636605
(6-Methoxy-2-piperazin-1-ylpyrimidin-4-yl)-piperidin-1-ylmethanone
CID 177658229
N-(cyclopropylmethyl)-6-methoxy-2-piperazin-1-ylpyrimidine-4-carboxamide
CID 177658681

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyrimidine-4-carboxamide (CID 91628569) is 6-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyrimidine-4-carboxamide is COc1cc(C(=O)NCCn2nc(C)ccc2=O)ncn1.
What is the InChIKey of 6-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is NBFJLLLIPQCYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-9-3-4-12(19)18(17-9)6-5-14-13(20)10-7-11(21-2)16-8-15-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,20).
What are the key properties of 6-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyrimidine-4-carboxamide?
6-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 289.30 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 91628569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).