5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide

C21H28N4O2 — CID 109181067

IUPAC5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCOc1ccccc1N1CCN(c2ccc(C(=O)NCC(C)C)nc2)CC1
InChIInChI=1S/C21H28N4O2/c1-16(2)14-23-21(26)18-9-8-17(15-22-18)24-10-12-25(13-11-24)19-6-4-5-7-20(19)27-3/h4-9,15-16H,10-14H2,1-3H3,(H,23,26)
InChIKeyBJTNVTACTKALOA-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.80
Rot. Bonds6

About 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide

5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 109181067) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID109181067
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCOc1ccccc1N1CCN(c2ccc(C(=O)NCC(C)C)nc2)CC1
InChIInChI=1S/C21H28N4O2/c1-16(2)14-23-21(26)18-9-8-17(15-22-18)24-10-12-25(13-11-24)19-6-4-5-7-20(19)27-3/h4-9,15-16H,10-14H2,1-3H3,(H,23,26)
InChIKeyBJTNVTACTKALOA-UHFFFAOYSA-N
XLogP2.80
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184245
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111214
[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186297
[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109186471
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181044
[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109194295
5-(4-ethylpiperazin-1-yl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109186854
N-[(2-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183440
4-(2-methoxyphenyl)-N-(2-methylpropyl)piperazine-1-carbothioamide
CID 19655220
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide
CID 109216074
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide
CID 9249294
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide
CID 112984474

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide (CID 109181067) is 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide is COc1ccccc1N1CCN(c2ccc(C(=O)NCC(C)C)nc2)CC1.
What is the InChIKey of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is BJTNVTACTKALOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-16(2)14-23-21(26)18-9-8-17(15-22-18)24-10-12-25(13-11-24)19-6-4-5-7-20(19)27-3/h4-9,15-16H,10-14H2,1-3H3,(H,23,26).
What are the key properties of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide?
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109181067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).