N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide

C18H24N2O — CID 142846315

IUPACN-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide
SMILESCc1cccc(CN(C(=O)C2=CCCNC2)C2CC2)c1C
InChIInChI=1S/C18H24N2O/c1-13-5-3-6-16(14(13)2)12-20(17-8-9-17)18(21)15-7-4-10-19-11-15/h3,5-7,17,19H,4,8-12H2,1-2H3
InChIKeyIGRXCILZANBHEX-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.71
Rot. Bonds4

About N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide

N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide (PubChem CID 142846315) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide
PubChem CID142846315
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide
SMILESCc1cccc(CN(C(=O)C2=CCCNC2)C2CC2)c1C
InChIInChI=1S/C18H24N2O/c1-13-5-3-6-16(14(13)2)12-20(17-8-9-17)18(21)15-7-4-10-19-11-15/h3,5-7,17,19H,4,8-12H2,1-2H3
InChIKeyIGRXCILZANBHEX-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide (CID 142846315) is N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide is Cc1cccc(CN(C(=O)C2=CCCNC2)C2CC2)c1C.
What is the InChIKey of N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide?
The InChIKey is IGRXCILZANBHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-5-3-6-16(14(13)2)12-20(17-8-9-17)18(21)15-7-4-10-19-11-15/h3,5-7,17,19H,4,8-12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide?
N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide is sourced from PubChem (CID 142846315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).