N-(pyridin-2-ylmethyl)-2-[2-[1-[2-(pyridin-2-ylmethylamino)ethyl]piperidin-3-yl]-4-pyridinyl]ethanamine

C26H34N6 — CID 172594287

IUPACN-(pyridin-2-ylmethyl)-2-[2-[1-[2-(pyridin-2-ylmethylamino)ethyl]piperidin-3-yl]-4-pyridinyl]ethanamine
SMILESc1ccc(CNCCc2ccnc(C3CCCN(CCNCc4ccccn4)C3)c2)nc1
InChIInChI=1S/C26H34N6/c1-3-11-29-24(7-1)19-27-13-9-22-10-14-31-26(18-22)23-6-5-16-32(21-23)17-15-28-20-25-8-2-4-12-30-25/h1-4,7-8,10-12,14,18,23,27-28H,5-6,9,13,15-17,19-21H2
InChIKeyQKMUYNAJFIYTIY-UHFFFAOYSA-N
MW430.60 g/mol
LogP3.17
Rot. Bonds11

About N-(pyridin-2-ylmethyl)-2-[2-[1-[2-(pyridin-2-ylmethylamino)ethyl]piperidin-3-yl]-4-pyridinyl]ethanamine

N-(pyridin-2-ylmethyl)-2-[2-[1-[2-(pyridin-2-ylmethylamino)ethyl]piperidin-3-yl]-4-pyridinyl]ethanamine (PubChem CID 172594287) has the molecular formula C26H34N6 and a molecular weight of 430.60 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2-[2-[1-[2-(pyridin-2-ylmethylamino)ethyl]piperidin-3-yl]-4-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-2-[2-[1-[2-(pyridin-2-ylmethylamino)ethyl]piperidin-3-yl]-4-pyridinyl]ethanamine
PubChem CID172594287
Molecular FormulaC26H34N6
Molecular Weight430.60 g/mol
Exact Mass430.28
IUPAC NameN-(pyridin-2-ylmethyl)-2-[2-[1-[2-(pyridin-2-ylmethylamino)ethyl]piperidin-3-yl]-4-pyridinyl]ethanamine
SMILESc1ccc(CNCCc2ccnc(C3CCCN(CCNCc4ccccn4)C3)c2)nc1
InChIInChI=1S/C26H34N6/c1-3-11-29-24(7-1)19-27-13-9-22-10-14-31-26(18-22)23-6-5-16-32(21-23)17-15-28-20-25-8-2-4-12-30-25/h1-4,7-8,10-12,14,18,23,27-28H,5-6,9,13,15-17,19-21H2
InChIKeyQKMUYNAJFIYTIY-UHFFFAOYSA-N
XLogP3.17
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 63626313
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 62561399
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 66370631
2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 103503493
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 102728609
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 28657609
2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 55024068
2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 62317287
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 62554392
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723814
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413
N-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine
CID 63847232

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-2-[2-[1-[2-(pyridin-2-ylmethylamino)ethyl]piperidin-3-yl]-4-pyridinyl]ethanamine?
The IUPAC name of N-(pyridin-2-ylmethyl)-2-[2-[1-[2-(pyridin-2-ylmethylamino)ethyl]piperidin-3-yl]-4-pyridinyl]ethanamine (CID 172594287) is N-(pyridin-2-ylmethyl)-2-[2-[1-[2-(pyridin-2-ylmethylamino)ethyl]piperidin-3-yl]-4-pyridinyl]ethanamine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-2-[2-[1-[2-(pyridin-2-ylmethylamino)ethyl]piperidin-3-yl]-4-pyridinyl]ethanamine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-2-[2-[1-[2-(pyridin-2-ylmethylamino)ethyl]piperidin-3-yl]-4-pyridinyl]ethanamine is c1ccc(CNCCc2ccnc(C3CCCN(CCNCc4ccccn4)C3)c2)nc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-2-[2-[1-[2-(pyridin-2-ylmethylamino)ethyl]piperidin-3-yl]-4-pyridinyl]ethanamine?
The InChIKey is QKMUYNAJFIYTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6/c1-3-11-29-24(7-1)19-27-13-9-22-10-14-31-26(18-22)23-6-5-16-32(21-23)17-15-28-20-25-8-2-4-12-30-25/h1-4,7-8,10-12,14,18,23,27-28H,5-6,9,13,15-17,19-21H2.
What are the key properties of N-(pyridin-2-ylmethyl)-2-[2-[1-[2-(pyridin-2-ylmethylamino)ethyl]piperidin-3-yl]-4-pyridinyl]ethanamine?
N-(pyridin-2-ylmethyl)-2-[2-[1-[2-(pyridin-2-ylmethylamino)ethyl]piperidin-3-yl]-4-pyridinyl]ethanamine has a molecular weight of 430.60 g/mol, XLogP of 3.17, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-2-[2-[1-[2-(pyridin-2-ylmethylamino)ethyl]piperidin-3-yl]-4-pyridinyl]ethanamine is sourced from PubChem (CID 172594287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).