N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-1-(2-hydroxyethyl)piperidine-4-carboxamide

C22H29N3O2 — CID 74243950

IUPACN-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-1-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESCc1ccc(C(NC(=O)C2CCN(CCO)CC2)c2cccnc2)cc1C
InChIInChI=1S/C22H29N3O2/c1-16-5-6-19(14-17(16)2)21(20-4-3-9-23-15-20)24-22(27)18-7-10-25(11-8-18)12-13-26/h3-6,9,14-15,18,21,26H,7-8,10-13H2,1-2H3,(H,24,27)
InChIKeyKPMIJEBNRKXZLR-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.61
Rot. Bonds6

About N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-1-(2-hydroxyethyl)piperidine-4-carboxamide

N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-1-(2-hydroxyethyl)piperidine-4-carboxamide (PubChem CID 74243950) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-1-(2-hydroxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-1-(2-hydroxyethyl)piperidine-4-carboxamide
PubChem CID74243950
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-1-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESCc1ccc(C(NC(=O)C2CCN(CCO)CC2)c2cccnc2)cc1C
InChIInChI=1S/C22H29N3O2/c1-16-5-6-19(14-17(16)2)21(20-4-3-9-23-15-20)24-22(27)18-7-10-25(11-8-18)12-13-26/h3-6,9,14-15,18,21,26H,7-8,10-13H2,1-2H3,(H,24,27)
InChIKeyKPMIJEBNRKXZLR-UHFFFAOYSA-N
XLogP2.61
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide
CID 92500236
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 131892139
2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide
CID 20897057
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide
CID 20897042
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide
CID 92500240
N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071749
N-[1-(3,4-dimethylphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46766706
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide
CID 131900152
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-pyrrolidin-1-ylacetamide
CID 124731636
N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 43010004
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 70706905
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013959

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-1-(2-hydroxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-1-(2-hydroxyethyl)piperidine-4-carboxamide (CID 74243950) is N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-1-(2-hydroxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-1-(2-hydroxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-1-(2-hydroxyethyl)piperidine-4-carboxamide is Cc1ccc(C(NC(=O)C2CCN(CCO)CC2)c2cccnc2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-1-(2-hydroxyethyl)piperidine-4-carboxamide?
The InChIKey is KPMIJEBNRKXZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-5-6-19(14-17(16)2)21(20-4-3-9-23-15-20)24-22(27)18-7-10-25(11-8-18)12-13-26/h3-6,9,14-15,18,21,26H,7-8,10-13H2,1-2H3,(H,24,27).
What are the key properties of N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-1-(2-hydroxyethyl)piperidine-4-carboxamide?
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-1-(2-hydroxyethyl)piperidine-4-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-1-(2-hydroxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 74243950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).