5-methyl-N'-(1-propan-2-yl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)furan-2-carbohydrazide

C14H22N3O2+ — CID 4744636

IUPAC5-methyl-N'-(1-propan-2-yl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)furan-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC2=CC[NH+](C(C)C)CC2)o1
InChIInChI=1S/C14H21N3O2/c1-10(2)17-8-6-12(7-9-17)15-16-14(18)13-5-4-11(3)19-13/h4-6,10,15H,7-9H2,1-3H3,(H,16,18)/p+1
InChIKeyMMWLNCIMMLQKJV-UHFFFAOYSA-O
MW264.35 g/mol
LogP0.40
Rot. Bonds4

About 5-methyl-N'-(1-propan-2-yl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)furan-2-carbohydrazide

5-methyl-N'-(1-propan-2-yl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)furan-2-carbohydrazide (PubChem CID 4744636) has the molecular formula C14H22N3O2+ and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-methyl-N'-(1-propan-2-yl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-(1-propan-2-yl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)furan-2-carbohydrazide
PubChem CID4744636
Molecular FormulaC14H22N3O2+
Molecular Weight264.35 g/mol
Exact Mass264.17
IUPAC Name5-methyl-N'-(1-propan-2-yl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)furan-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC2=CC[NH+](C(C)C)CC2)o1
InChIInChI=1S/C14H21N3O2/c1-10(2)17-8-6-12(7-9-17)15-16-14(18)13-5-4-11(3)19-13/h4-6,10,15H,7-9H2,1-3H3,(H,16,18)/p+1
InChIKeyMMWLNCIMMLQKJV-UHFFFAOYSA-O
XLogP0.40
TPSA58.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-(1-propan-2-yl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)furan-2-carbohydrazide?
The IUPAC name of 5-methyl-N'-(1-propan-2-yl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)furan-2-carbohydrazide (CID 4744636) is 5-methyl-N'-(1-propan-2-yl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)furan-2-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-(1-propan-2-yl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)furan-2-carbohydrazide?
The canonical SMILES for 5-methyl-N'-(1-propan-2-yl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)furan-2-carbohydrazide is Cc1ccc(C(=O)NNC2=CC[NH+](C(C)C)CC2)o1.
What is the InChIKey of 5-methyl-N'-(1-propan-2-yl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)furan-2-carbohydrazide?
The InChIKey is MMWLNCIMMLQKJV-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)17-8-6-12(7-9-17)15-16-14(18)13-5-4-11(3)19-13/h4-6,10,15H,7-9H2,1-3H3,(H,16,18)/p+1.
What are the key properties of 5-methyl-N'-(1-propan-2-yl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)furan-2-carbohydrazide?
5-methyl-N'-(1-propan-2-yl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)furan-2-carbohydrazide has a molecular weight of 264.35 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-(1-propan-2-yl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)furan-2-carbohydrazide is sourced from PubChem (CID 4744636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).