N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methoxypyridazine-3-carboxamide

C20H20N4O2 — CID 84584365

IUPACN-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methoxypyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)NC(c2cccnc2)c2cc(C)cc(C)c2)nn1
InChIInChI=1S/C20H20N4O2/c1-13-9-14(2)11-16(10-13)19(15-5-4-8-21-12-15)22-20(25)17-6-7-18(26-3)24-23-17/h4-12,19H,1-3H3,(H,22,25)
InChIKeyMXTZICRWTCNBKR-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.02
Rot. Bonds5

About N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methoxypyridazine-3-carboxamide

N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methoxypyridazine-3-carboxamide (PubChem CID 84584365) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methoxypyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methoxypyridazine-3-carboxamide
PubChem CID84584365
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methoxypyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)NC(c2cccnc2)c2cc(C)cc(C)c2)nn1
InChIInChI=1S/C20H20N4O2/c1-13-9-14(2)11-16(10-13)19(15-5-4-8-21-12-15)22-20(25)17-6-7-18(26-3)24-23-17/h4-12,19H,1-3H3,(H,22,25)
InChIKeyMXTZICRWTCNBKR-UHFFFAOYSA-N
XLogP3.02
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500173
6-methoxy-N-propan-2-ylpyridazine-3-carboxamide
CID 129166823
N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500223
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide
CID 92500137
(2S)-2-(cyclopropylmethoxy)-N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]propanamide
CID 95305125
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500269
N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 84583948
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide
CID 92500266
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide
CID 20897042
N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-fluoropropane-1-sulfonamide
CID 96529707

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methoxypyridazine-3-carboxamide?
The IUPAC name of N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methoxypyridazine-3-carboxamide (CID 84584365) is N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methoxypyridazine-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methoxypyridazine-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methoxypyridazine-3-carboxamide is COc1ccc(C(=O)NC(c2cccnc2)c2cc(C)cc(C)c2)nn1.
What is the InChIKey of N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methoxypyridazine-3-carboxamide?
The InChIKey is MXTZICRWTCNBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-9-14(2)11-16(10-13)19(15-5-4-8-21-12-15)22-20(25)17-6-7-18(26-3)24-23-17/h4-12,19H,1-3H3,(H,22,25).
What are the key properties of N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methoxypyridazine-3-carboxamide?
N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methoxypyridazine-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methoxypyridazine-3-carboxamide is sourced from PubChem (CID 84584365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).