N-propan-2-yl-1,2,3,6-tetrahydropyridine-4-carboxamide

C9H16N2O — CID 117125993

IUPACN-propan-2-yl-1,2,3,6-tetrahydropyridine-4-carboxamide
SMILESCC(C)NC(=O)C1=CCNCC1
InChIInChI=1S/C9H16N2O/c1-7(2)11-9(12)8-3-5-10-6-4-8/h3,7,10H,4-6H2,1-2H3,(H,11,12)
InChIKeyZQYAZHSWZKFEJJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.43
Rot. Bonds2

About N-propan-2-yl-1,2,3,6-tetrahydropyridine-4-carboxamide

N-propan-2-yl-1,2,3,6-tetrahydropyridine-4-carboxamide (PubChem CID 117125993) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-propan-2-yl-1,2,3,6-tetrahydropyridine-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1,2,3,6-tetrahydropyridine-4-carboxamide
PubChem CID117125993
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-propan-2-yl-1,2,3,6-tetrahydropyridine-4-carboxamide
SMILESCC(C)NC(=O)C1=CCNCC1
InChIInChI=1S/C9H16N2O/c1-7(2)11-9(12)8-3-5-10-6-4-8/h3,7,10H,4-6H2,1-2H3,(H,11,12)
InChIKeyZQYAZHSWZKFEJJ-UHFFFAOYSA-N
XLogP0.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1,2,3,6-tetrahydropyridine-4-carboxamide?
The IUPAC name of N-propan-2-yl-1,2,3,6-tetrahydropyridine-4-carboxamide (CID 117125993) is N-propan-2-yl-1,2,3,6-tetrahydropyridine-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-1,2,3,6-tetrahydropyridine-4-carboxamide?
The canonical SMILES for N-propan-2-yl-1,2,3,6-tetrahydropyridine-4-carboxamide is CC(C)NC(=O)C1=CCNCC1.
What is the InChIKey of N-propan-2-yl-1,2,3,6-tetrahydropyridine-4-carboxamide?
The InChIKey is ZQYAZHSWZKFEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)11-9(12)8-3-5-10-6-4-8/h3,7,10H,4-6H2,1-2H3,(H,11,12).
What are the key properties of N-propan-2-yl-1,2,3,6-tetrahydropyridine-4-carboxamide?
N-propan-2-yl-1,2,3,6-tetrahydropyridine-4-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,2,3,6-tetrahydropyridine-4-carboxamide is sourced from PubChem (CID 117125993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).