N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide

C16H17N3O2 — CID 113200525

IUPACN-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C16H17N3O2/c20-16(17-11-13-7-4-10-21-13)15-9-8-14(18-19-15)12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,17,20)
InChIKeyQVNKPZDKHNGDDN-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.05
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide

N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide (PubChem CID 113200525) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
PubChem CID113200525
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C16H17N3O2/c20-16(17-11-13-7-4-10-21-13)15-9-8-14(18-19-15)12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,17,20)
InChIKeyQVNKPZDKHNGDDN-UHFFFAOYSA-N
XLogP2.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207
N-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide
CID 92882462
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
6-[benzyl(propan-2-yl)amino]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115031
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N-[[(2S)-oxolan-2-yl]methyl]-6-pyrazol-1-ylpyridazine-3-carboxamide
CID 95985471
3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125436416
6-(ethylamino)-N-(oxan-2-ylmethyl)pyridazine-3-carboxamide
CID 62181516
6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide
CID 31883567
6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853574

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide (CID 113200525) is N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide is O=C(NCC1CCCO1)c1ccc(-c2ccccc2)nn1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide?
The InChIKey is QVNKPZDKHNGDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-16(17-11-13-7-4-10-21-13)15-9-8-14(18-19-15)12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,17,20).
What are the key properties of N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide?
N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 113200525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).