N-methyl-N-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylethanamine

C18H28N6 — CID 50982350

IUPACN-methyl-N-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1nnc(CC2CCNCC2)n1C
InChIInChI=1S/C18H28N6/c1-23(12-8-16-5-3-4-9-20-16)14-18-22-21-17(24(18)2)13-15-6-10-19-11-7-15/h3-5,9,15,19H,6-8,10-14H2,1-2H3
InChIKeyAPUHDLVOLJNNRT-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.43
Rot. Bonds7

About N-methyl-N-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylethanamine

N-methyl-N-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylethanamine (PubChem CID 50982350) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-methyl-N-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylethanamine
PubChem CID50982350
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC NameN-methyl-N-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1nnc(CC2CCNCC2)n1C
InChIInChI=1S/C18H28N6/c1-23(12-8-16-5-3-4-9-20-16)14-18-22-21-17(24(18)2)13-15-6-10-19-11-7-15/h3-5,9,15,19H,6-8,10-14H2,1-2H3
InChIKeyAPUHDLVOLJNNRT-UHFFFAOYSA-N
XLogP1.43
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylethanamine with MolForge

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Related Compounds

N',N'-diethyl-N-methyl-N-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]ethane-1,2-diamine
CID 50963833
N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 54945083
N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 94408610
3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one
CID 122133317
N-methyl-2-pyridin-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine
CID 104557278
N-[(4-ethylpiperidin-2-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 114430704
N-methyl-2-pyridin-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 28599662
4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]piperidin-4-ol
CID 55048388
N-[(2-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 779150
N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-2-pyridin-2-ylethanamine
CID 79385131
N-methyl-N-[[(2R)-piperidin-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 28599674
N-(piperidin-4-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 114290026

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-methyl-N-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylethanamine (CID 50982350) is N-methyl-N-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-methyl-N-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-methyl-N-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylethanamine is CN(CCc1ccccn1)Cc1nnc(CC2CCNCC2)n1C.
What is the InChIKey of N-methyl-N-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylethanamine?
The InChIKey is APUHDLVOLJNNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-23(12-8-16-5-3-4-9-20-16)14-18-22-21-17(24(18)2)13-15-6-10-19-11-7-15/h3-5,9,15,19H,6-8,10-14H2,1-2H3.
What are the key properties of N-methyl-N-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylethanamine?
N-methyl-N-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylethanamine has a molecular weight of 328.46 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 50982350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).