6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C23H30N4O2 — CID 109153645

IUPAC6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1cccc(N2CCN(c3ccc(C(=O)NCC4CCCO4)cn3)CC2)c1C
InChIInChI=1S/C23H30N4O2/c1-17-5-3-7-21(18(17)2)26-10-12-27(13-11-26)22-9-8-19(15-24-22)23(28)25-16-20-6-4-14-29-20/h3,5,7-9,15,20H,4,6,10-14,16H2,1-2H3,(H,25,28)
InChIKeyVSKCDODCJPNGHA-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.93
Rot. Bonds5

About 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 109153645) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID109153645
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1cccc(N2CCN(c3ccc(C(=O)NCC4CCCO4)cn3)CC2)c1C
InChIInChI=1S/C23H30N4O2/c1-17-5-3-7-21(18(17)2)26-10-12-27(13-11-26)22-9-8-19(15-24-22)23(28)25-16-20-6-4-14-29-20/h3,5,7-9,15,20H,4,6,10-14,16H2,1-2H3,(H,25,28)
InChIKeyVSKCDODCJPNGHA-UHFFFAOYSA-N
XLogP2.93
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153644
6-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 724881
6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 68740126
N-[2-(dimethylamino)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109153888
6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 68740839
N-(oxolan-2-ylmethyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68738911
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252548
N-(oxolan-2-ylmethyl)-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68739534
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109185149
2-(2,3-dimethylphenyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 28924798
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methanone
CID 121017308
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 109153645) is 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is Cc1cccc(N2CCN(c3ccc(C(=O)NCC4CCCO4)cn3)CC2)c1C.
What is the InChIKey of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is VSKCDODCJPNGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-5-3-7-21(18(17)2)26-10-12-27(13-11-26)22-9-8-19(15-24-22)23(28)25-16-20-6-4-14-29-20/h3,5,7-9,15,20H,4,6,10-14,16H2,1-2H3,(H,25,28).
What are the key properties of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109153645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).