5-chloro-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylfuran-2-carboxamide

C14H14ClN3O3 — CID 126829951

IUPAC5-chloro-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylfuran-2-carboxamide
SMILESO=C(c1ccc(Cl)o1)N(CC1CCCO1)c1ccnnc1
InChIInChI=1S/C14H14ClN3O3/c15-13-4-3-12(21-13)14(19)18(9-11-2-1-7-20-11)10-5-6-16-17-8-10/h3-6,8,11H,1-2,7,9H2
InChIKeyLOQAPOOHJHWVPE-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.55
Rot. Bonds4

About 5-chloro-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylfuran-2-carboxamide

5-chloro-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylfuran-2-carboxamide (PubChem CID 126829951) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 5-chloro-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylfuran-2-carboxamide
PubChem CID126829951
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name5-chloro-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylfuran-2-carboxamide
SMILESO=C(c1ccc(Cl)o1)N(CC1CCCO1)c1ccnnc1
InChIInChI=1S/C14H14ClN3O3/c15-13-4-3-12(21-13)14(19)18(9-11-2-1-7-20-11)10-5-6-16-17-8-10/h3-6,8,11H,1-2,7,9H2
InChIKeyLOQAPOOHJHWVPE-UHFFFAOYSA-N
XLogP2.55
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dichlorophenyl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylacetamide
CID 167810660
N-(oxolan-2-ylmethyl)-5-propan-2-yl-N-pyridazin-4-ylpyridine-2-carboxamide
CID 167761276
N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
CID 146105531
5-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-pyridazin-4-yl-1,2,4-triazole-3-carboxamide
CID 166252472
trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylcyclopropane-1-carboxamide
CID 154843714
3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide
CID 136525666
5-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylthiophene-2-carboxamide
CID 96547612
N-[[(2S)-oxolan-2-yl]methyl]-N-pyridin-4-ylquinoxaline-2-carboxamide
CID 129370507
5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 46537419
5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 96547592
(5-chlorofuran-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 103601974
2-chloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118818

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylfuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylfuran-2-carboxamide (CID 126829951) is 5-chloro-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylfuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylfuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylfuran-2-carboxamide is O=C(c1ccc(Cl)o1)N(CC1CCCO1)c1ccnnc1.
What is the InChIKey of 5-chloro-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylfuran-2-carboxamide?
The InChIKey is LOQAPOOHJHWVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c15-13-4-3-12(21-13)14(19)18(9-11-2-1-7-20-11)10-5-6-16-17-8-10/h3-6,8,11H,1-2,7,9H2.
What are the key properties of 5-chloro-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylfuran-2-carboxamide?
5-chloro-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylfuran-2-carboxamide has a molecular weight of 307.74 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 126829951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).