N-(oxolan-2-ylmethyl)-5-propan-2-yl-N-pyridazin-4-ylpyridine-2-carboxamide

C18H22N4O2 — CID 167761276

IUPACN-(oxolan-2-ylmethyl)-5-propan-2-yl-N-pyridazin-4-ylpyridine-2-carboxamide
SMILESCC(C)c1ccc(C(=O)N(CC2CCCO2)c2ccnnc2)nc1
InChIInChI=1S/C18H22N4O2/c1-13(2)14-5-6-17(19-10-14)18(23)22(12-16-4-3-9-24-16)15-7-8-20-21-11-15/h5-8,10-11,13,16H,3-4,9,12H2,1-2H3
InChIKeySADKVPXRYVDCBG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.82
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-5-propan-2-yl-N-pyridazin-4-ylpyridine-2-carboxamide

N-(oxolan-2-ylmethyl)-5-propan-2-yl-N-pyridazin-4-ylpyridine-2-carboxamide (PubChem CID 167761276) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-5-propan-2-yl-N-pyridazin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-5-propan-2-yl-N-pyridazin-4-ylpyridine-2-carboxamide
PubChem CID167761276
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(oxolan-2-ylmethyl)-5-propan-2-yl-N-pyridazin-4-ylpyridine-2-carboxamide
SMILESCC(C)c1ccc(C(=O)N(CC2CCCO2)c2ccnnc2)nc1
InChIInChI=1S/C18H22N4O2/c1-13(2)14-5-6-17(19-10-14)18(23)22(12-16-4-3-9-24-16)15-7-8-20-21-11-15/h5-8,10-11,13,16H,3-4,9,12H2,1-2H3
InChIKeySADKVPXRYVDCBG-UHFFFAOYSA-N
XLogP2.82
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylfuran-2-carboxamide
CID 126829951
trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylcyclopropane-1-carboxamide
CID 154843714
2-(2,5-dichlorophenyl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylacetamide
CID 167810660
5-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-pyridazin-4-yl-1,2,4-triazole-3-carboxamide
CID 166252472
N-[[(2S)-oxolan-2-yl]methyl]-N-pyridin-4-ylquinoxaline-2-carboxamide
CID 129370507
N-ethyl-5-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 104640524
5-amino-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 81315666
3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide
CID 136525666
N,N-dimethyl-5-propan-2-ylpyridine-2-carboxamide
CID 59186535
N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide
CID 127943943
5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 96547592
3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide
CID 110316787

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-5-propan-2-yl-N-pyridazin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-5-propan-2-yl-N-pyridazin-4-ylpyridine-2-carboxamide (CID 167761276) is N-(oxolan-2-ylmethyl)-5-propan-2-yl-N-pyridazin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-5-propan-2-yl-N-pyridazin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-5-propan-2-yl-N-pyridazin-4-ylpyridine-2-carboxamide is CC(C)c1ccc(C(=O)N(CC2CCCO2)c2ccnnc2)nc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-5-propan-2-yl-N-pyridazin-4-ylpyridine-2-carboxamide?
The InChIKey is SADKVPXRYVDCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(2)14-5-6-17(19-10-14)18(23)22(12-16-4-3-9-24-16)15-7-8-20-21-11-15/h5-8,10-11,13,16H,3-4,9,12H2,1-2H3.
What are the key properties of N-(oxolan-2-ylmethyl)-5-propan-2-yl-N-pyridazin-4-ylpyridine-2-carboxamide?
N-(oxolan-2-ylmethyl)-5-propan-2-yl-N-pyridazin-4-ylpyridine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-5-propan-2-yl-N-pyridazin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 167761276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).