N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

C18H22N6 — CID 166257400

IUPACN-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESc1cc(NCC2CCN(Cc3ccncc3)CC2)n2cnnc2c1
InChIInChI=1S/C18H22N6/c1-2-17(24-14-21-22-18(24)3-1)20-12-15-6-10-23(11-7-15)13-16-4-8-19-9-5-16/h1-5,8-9,14-15,20H,6-7,10-13H2
InChIKeyDXLDSMMERYUXOF-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.45
Rot. Bonds5

About N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 166257400) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound NameN-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID166257400
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC NameN-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESc1cc(NCC2CCN(Cc3ccncc3)CC2)n2cnnc2c1
InChIInChI=1S/C18H22N6/c1-2-17(24-14-21-22-18(24)3-1)20-12-15-6-10-23(11-7-15)13-16-4-8-19-9-5-16/h1-5,8-9,14-15,20H,6-7,10-13H2
InChIKeyDXLDSMMERYUXOF-UHFFFAOYSA-N
XLogP2.45
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63387556
N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
CID 166242704
1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16888080
2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895962
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine
CID 166602497
4-[(4-ethenylpiperidin-1-yl)methyl]pyridine
CID 142137767
2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895942
5-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]pyridine-3-carboxylic acid
CID 136552683
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
2-nitro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888004
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 166257400) is N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is c1cc(NCC2CCN(Cc3ccncc3)CC2)n2cnnc2c1.
What is the InChIKey of N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is DXLDSMMERYUXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-2-17(24-14-21-22-18(24)3-1)20-12-15-6-10-23(11-7-15)13-16-4-8-19-9-5-16/h1-5,8-9,14-15,20H,6-7,10-13H2.
What are the key properties of N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 322.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 166257400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).