N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydropyridine-5-carboxamide

C14H18N2O3 — CID 13059822

IUPACN-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydropyridine-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2=CNCCC2)c1
InChIInChI=1S/C14H18N2O3/c1-18-11-5-6-13(19-2)12(8-11)16-14(17)10-4-3-7-15-9-10/h5-6,8-9,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyHUTLQNOCADVBQY-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.91
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydropyridine-5-carboxamide

N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydropyridine-5-carboxamide (PubChem CID 13059822) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydropyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydropyridine-5-carboxamide
PubChem CID13059822
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydropyridine-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2=CNCCC2)c1
InChIInChI=1S/C14H18N2O3/c1-18-11-5-6-13(19-2)12(8-11)16-14(17)10-4-3-7-15-9-10/h5-6,8-9,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyHUTLQNOCADVBQY-UHFFFAOYSA-N
XLogP1.91
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
CID 112520892
methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 16585566
N-(2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918722
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159
N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2348568
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide
CID 532254
N-(2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107362719
N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17416795
2-amino-N-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 2291582
N-(2,5-dimethoxyphenyl)-6-methoxypyridazine-3-carboxamide
CID 90509292
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydropyridine-5-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydropyridine-5-carboxamide (CID 13059822) is N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydropyridine-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydropyridine-5-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydropyridine-5-carboxamide is COc1ccc(OC)c(NC(=O)C2=CNCCC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydropyridine-5-carboxamide?
The InChIKey is HUTLQNOCADVBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-18-11-5-6-13(19-2)12(8-11)16-14(17)10-4-3-7-15-9-10/h5-6,8-9,15H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydropyridine-5-carboxamide?
N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydropyridine-5-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydropyridine-5-carboxamide is sourced from PubChem (CID 13059822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).