2-[1-(1H-imidazol-5-ylmethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-methylpyridine

C21H25N5 — CID 67421836

IUPAC2-[1-(1H-imidazol-5-ylmethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-methylpyridine
SMILESCc1cccnc1C1CCCC(c2ncccc2C)N1Cc1cnc[nH]1
InChIInChI=1S/C21H25N5/c1-15-6-4-10-23-20(15)18-8-3-9-19(21-16(2)7-5-11-24-21)26(18)13-17-12-22-14-25-17/h4-7,10-12,14,18-19H,3,8-9,13H2,1-2H3,(H,22,25)
InChIKeyCSLWXYBDPFIADZ-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.29
Rot. Bonds4

About 2-[1-(1H-imidazol-5-ylmethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-methylpyridine

2-[1-(1H-imidazol-5-ylmethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-methylpyridine (PubChem CID 67421836) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-[1-(1H-imidazol-5-ylmethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-methylpyridine.

Molecular Properties

Compound Name2-[1-(1H-imidazol-5-ylmethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-methylpyridine
PubChem CID67421836
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name2-[1-(1H-imidazol-5-ylmethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-methylpyridine
SMILESCc1cccnc1C1CCCC(c2ncccc2C)N1Cc1cnc[nH]1
InChIInChI=1S/C21H25N5/c1-15-6-4-10-23-20(15)18-8-3-9-19(21-16(2)7-5-11-24-21)26(18)13-17-12-22-14-25-17/h4-7,10-12,14,18-19H,3,8-9,13H2,1-2H3,(H,22,25)
InChIKeyCSLWXYBDPFIADZ-UHFFFAOYSA-N
XLogP4.29
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-imidazol-5-ylmethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-methylpyridine?
The IUPAC name of 2-[1-(1H-imidazol-5-ylmethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-methylpyridine (CID 67421836) is 2-[1-(1H-imidazol-5-ylmethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-methylpyridine.
What is the SMILES notation for 2-[1-(1H-imidazol-5-ylmethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-methylpyridine?
The canonical SMILES for 2-[1-(1H-imidazol-5-ylmethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-methylpyridine is Cc1cccnc1C1CCCC(c2ncccc2C)N1Cc1cnc[nH]1.
What is the InChIKey of 2-[1-(1H-imidazol-5-ylmethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-methylpyridine?
The InChIKey is CSLWXYBDPFIADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-15-6-4-10-23-20(15)18-8-3-9-19(21-16(2)7-5-11-24-21)26(18)13-17-12-22-14-25-17/h4-7,10-12,14,18-19H,3,8-9,13H2,1-2H3,(H,22,25).
What are the key properties of 2-[1-(1H-imidazol-5-ylmethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-methylpyridine?
2-[1-(1H-imidazol-5-ylmethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-methylpyridine has a molecular weight of 347.47 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-imidazol-5-ylmethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-methylpyridine is sourced from PubChem (CID 67421836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).