N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyridazine-4-carboxamide

C20H17N7O2 — CID 167800736

IUPACN-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyridazine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnnc(-c3ccccc3)c2)cc1-n1nnnc1C
InChIInChI=1S/C20H17N7O2/c1-13-23-25-26-27(13)18-11-16(8-9-19(18)29-2)22-20(28)15-10-17(24-21-12-15)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,22,28)
InChIKeyNDYBHUISYMUHLY-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.69
Rot. Bonds5

About N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyridazine-4-carboxamide

N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyridazine-4-carboxamide (PubChem CID 167800736) has the molecular formula C20H17N7O2 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyridazine-4-carboxamide
PubChem CID167800736
Molecular FormulaC20H17N7O2
Molecular Weight387.40 g/mol
Exact Mass387.14
IUPAC NameN-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyridazine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnnc(-c3ccccc3)c2)cc1-n1nnnc1C
InChIInChI=1S/C20H17N7O2/c1-13-23-25-26-27(13)18-11-16(8-9-19(18)29-2)22-20(28)15-10-17(24-21-12-15)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,22,28)
InChIKeyNDYBHUISYMUHLY-UHFFFAOYSA-N
XLogP2.69
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(3-bromobenzoyl)amino]-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 167957621
3-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 134813269
(2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 119313707
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 134813277
4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122078811
4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56586278
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 167747098
1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea
CID 136522782
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-pyridin-2-ylpropanamide
CID 134813273
1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea
CID 95317921
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 119313715
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 52866977

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyridazine-4-carboxamide?
The IUPAC name of N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyridazine-4-carboxamide (CID 167800736) is N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyridazine-4-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyridazine-4-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyridazine-4-carboxamide is COc1ccc(NC(=O)c2cnnc(-c3ccccc3)c2)cc1-n1nnnc1C.
What is the InChIKey of N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyridazine-4-carboxamide?
The InChIKey is NDYBHUISYMUHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O2/c1-13-23-25-26-27(13)18-11-16(8-9-19(18)29-2)22-20(28)15-10-17(24-21-12-15)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,22,28).
What are the key properties of N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyridazine-4-carboxamide?
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyridazine-4-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyridazine-4-carboxamide is sourced from PubChem (CID 167800736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).