1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide

C17H20N4O3 — CID 91629784

IUPAC1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC(c2cccnc2)C2CCOCC2)ccc1=O
InChIInChI=1S/C17H20N4O3/c1-21-15(22)5-4-14(20-21)17(23)19-16(12-6-9-24-10-7-12)13-3-2-8-18-11-13/h2-5,8,11-12,16H,6-7,9-10H2,1H3,(H,19,23)
InChIKeyOLYUDUOOVFXJJF-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.07
Rot. Bonds4

About 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide

1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 91629784) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID91629784
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC(c2cccnc2)C2CCOCC2)ccc1=O
InChIInChI=1S/C17H20N4O3/c1-21-15(22)5-4-14(20-21)17(23)19-16(12-6-9-24-10-7-12)13-3-2-8-18-11-13/h2-5,8,11-12,16H,6-7,9-10H2,1H3,(H,19,23)
InChIKeyOLYUDUOOVFXJJF-UHFFFAOYSA-N
XLogP1.07
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide
CID 100699381
N-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide
CID 136564730
6-bromo-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-3-carboxamide
CID 91629779
2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629797
N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 100701151
3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629820
N-[oxan-4-yl(pyridin-3-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 91629823
2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide
CID 100699932
2-benzylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide
CID 91629752
(E)-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-3-phenylprop-2-enamide
CID 100699545
1-(1-adamantyl)-3-[oxan-4-yl(pyridin-3-yl)methyl]urea
CID 91629831
N-[oxan-4-yl(thiophen-2-yl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 134161833

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide (CID 91629784) is 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NC(c2cccnc2)C2CCOCC2)ccc1=O.
What is the InChIKey of 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is OLYUDUOOVFXJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-21-15(22)5-4-14(20-21)17(23)19-16(12-6-9-24-10-7-12)13-3-2-8-18-11-13/h2-5,8,11-12,16H,6-7,9-10H2,1H3,(H,19,23).
What are the key properties of 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide?
1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 91629784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).