N-(4-methylphenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide

C25H27N3O — CID 44527531

IUPACN-(4-methylphenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCC(c4ccccc4C)CC3)nc2)cc1
InChIInChI=1S/C25H27N3O/c1-18-7-10-22(11-8-18)27-25(29)21-9-12-24(26-17-21)28-15-13-20(14-16-28)23-6-4-3-5-19(23)2/h3-12,17,20H,13-16H2,1-2H3,(H,27,29)
InChIKeyCSDKHIJXHYZTAM-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.33
Rot. Bonds4

About N-(4-methylphenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide

N-(4-methylphenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 44527531) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID44527531
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC NameN-(4-methylphenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCC(c4ccccc4C)CC3)nc2)cc1
InChIInChI=1S/C25H27N3O/c1-18-7-10-22(11-8-18)27-25(29)21-9-12-24(26-17-21)28-15-13-20(14-16-28)23-6-4-3-5-19(23)2/h3-12,17,20H,13-16H2,1-2H3,(H,27,29)
InChIKeyCSDKHIJXHYZTAM-UHFFFAOYSA-N
XLogP5.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(2-methylphenyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44527508
N-(4-acetamidophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152569
6-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133383387
6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133486045
6-[4-[4-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 46832326
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133453663
4-[4-[5-[(3,4-dimethylphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 91059200
N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159582
N-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
CID 133302669
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
ethyl 1-[5-[(3-methyl-4-phenylphenyl)carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
CID 59318171

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide (CID 44527531) is N-(4-methylphenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(N3CCC(c4ccccc4C)CC3)nc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is CSDKHIJXHYZTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-18-7-10-22(11-8-18)27-25(29)21-9-12-24(26-17-21)28-15-13-20(14-16-28)23-6-4-3-5-19(23)2/h3-12,17,20H,13-16H2,1-2H3,(H,27,29).
What are the key properties of N-(4-methylphenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide?
N-(4-methylphenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 44527531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).