6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide

C16H21N5O3 — CID 129487026

IUPAC6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H](c2nccn2C)C2CCOCC2)nn1
InChIInChI=1S/C16H21N5O3/c1-21-8-7-17-15(21)14(11-5-9-24-10-6-11)18-16(22)12-3-4-13(23-2)20-19-12/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H,18,22)/t14-/m1/s1
InChIKeyBDKHRXGAHDBUFA-CQSZACIVSA-N
MW331.38 g/mol
LogP1.12
Rot. Bonds5

About 6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide

6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide (PubChem CID 129487026) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide
PubChem CID129487026
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H](c2nccn2C)C2CCOCC2)nn1
InChIInChI=1S/C16H21N5O3/c1-21-8-7-17-15(21)14(11-5-9-24-10-6-11)18-16(22)12-3-4-13(23-2)20-19-12/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H,18,22)/t14-/m1/s1
InChIKeyBDKHRXGAHDBUFA-CQSZACIVSA-N
XLogP1.12
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487208
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211
5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide
CID 128988052
N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]quinoxaline-2-carboxamide
CID 129487226
4-ethyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487085
2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide
CID 129351793
2-methyl-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]propanamide
CID 129487092
N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 128988058
1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide
CID 154736699
4-chloro-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 129487218
3-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide
CID 128988071
1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide
CID 154736963

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide (CID 129487026) is 6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide is COc1ccc(C(=O)N[C@@H](c2nccn2C)C2CCOCC2)nn1.
What is the InChIKey of 6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide?
The InChIKey is BDKHRXGAHDBUFA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-21-8-7-17-15(21)14(11-5-9-24-10-6-11)18-16(22)12-3-4-13(23-2)20-19-12/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H,18,22)/t14-/m1/s1.
What are the key properties of 6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide?
6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 129487026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).