3-methyl-2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine

C21H31N5 — CID 145424909

IUPAC3-methyl-2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine
SMILESCc1cccnc1C1CCCN1Cc1nccn1CC1CCN(C)CC1
InChIInChI=1S/C21H31N5/c1-17-5-3-9-23-21(17)19-6-4-11-25(19)16-20-22-10-14-26(20)15-18-7-12-24(2)13-8-18/h3,5,9-10,14,18-19H,4,6-8,11-13,15-16H2,1-2H3
InChIKeyCCBMDVGTXUJMJT-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.27
Rot. Bonds5

About 3-methyl-2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine

3-methyl-2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine (PubChem CID 145424909) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is 3-methyl-2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-methyl-2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine
PubChem CID145424909
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Name3-methyl-2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine
SMILESCc1cccnc1C1CCCN1Cc1nccn1CC1CCN(C)CC1
InChIInChI=1S/C21H31N5/c1-17-5-3-9-23-21(17)19-6-4-11-25(19)16-20-22-10-14-26(20)15-18-7-12-24(2)13-8-18/h3,5,9-10,14,18-19H,4,6-8,11-13,15-16H2,1-2H3
InChIKeyCCBMDVGTXUJMJT-UHFFFAOYSA-N
XLogP3.27
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine with MolForge

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Related Compounds

2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine
CID 145424881
1-[1-bromo-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazol-4-yl]-4-methylpiperazine
CID 172743844
2-(1-benzylpiperidin-2-yl)-3-methylpyridine
CID 102539039
7-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-3H-indole
CID 159475991
3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine
CID 145424448
4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 95750793
1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106567048
N-methyl-4-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine
CID 125011932
4-(4-cyclopropylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole
CID 145424882
2,6-bis(3-methyl-2-pyridinyl)piperidin-1-amine
CID 67421572
4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 110254306
4-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 95817567

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 3-methyl-2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine (CID 145424909) is 3-methyl-2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-methyl-2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-methyl-2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine is Cc1cccnc1C1CCCN1Cc1nccn1CC1CCN(C)CC1.
What is the InChIKey of 3-methyl-2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine?
The InChIKey is CCBMDVGTXUJMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5/c1-17-5-3-9-23-21(17)19-6-4-11-25(19)16-20-22-10-14-26(20)15-18-7-12-24(2)13-8-18/h3,5,9-10,14,18-19H,4,6-8,11-13,15-16H2,1-2H3.
What are the key properties of 3-methyl-2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine?
3-methyl-2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine has a molecular weight of 353.51 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 145424909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).