2-[[6-[3-[3-[6-[(2-hydroxyethylamino)methyl]-3-pyridinyl]-2-methylphenyl]-2-methylphenyl]-3-pyridinyl]methylamino]ethanol

C30H34N4O2 — CID 164620434

IUPAC2-[[6-[3-[3-[6-[(2-hydroxyethylamino)methyl]-3-pyridinyl]-2-methylphenyl]-2-methylphenyl]-3-pyridinyl]methylamino]ethanol
SMILESCc1c(-c2ccc(CNCCO)nc2)cccc1-c1cccc(-c2ccc(CNCCO)cn2)c1C
InChIInChI=1S/C30H34N4O2/c1-21-26(24-10-11-25(33-19-24)20-32-14-16-36)5-3-6-27(21)28-7-4-8-29(22(28)2)30-12-9-23(18-34-30)17-31-13-15-35/h3-12,18-19,31-32,35-36H,13-17,20H2,1-2H3
InChIKeyMCCWKRBUASIQIZ-UHFFFAOYSA-N
MW482.63 g/mol
LogP4.26
Rot. Bonds11

About 2-[[6-[3-[3-[6-[(2-hydroxyethylamino)methyl]-3-pyridinyl]-2-methylphenyl]-2-methylphenyl]-3-pyridinyl]methylamino]ethanol

2-[[6-[3-[3-[6-[(2-hydroxyethylamino)methyl]-3-pyridinyl]-2-methylphenyl]-2-methylphenyl]-3-pyridinyl]methylamino]ethanol (PubChem CID 164620434) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 2-[[6-[3-[3-[6-[(2-hydroxyethylamino)methyl]-3-pyridinyl]-2-methylphenyl]-2-methylphenyl]-3-pyridinyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[6-[3-[3-[6-[(2-hydroxyethylamino)methyl]-3-pyridinyl]-2-methylphenyl]-2-methylphenyl]-3-pyridinyl]methylamino]ethanol
PubChem CID164620434
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name2-[[6-[3-[3-[6-[(2-hydroxyethylamino)methyl]-3-pyridinyl]-2-methylphenyl]-2-methylphenyl]-3-pyridinyl]methylamino]ethanol
SMILESCc1c(-c2ccc(CNCCO)nc2)cccc1-c1cccc(-c2ccc(CNCCO)cn2)c1C
InChIInChI=1S/C30H34N4O2/c1-21-26(24-10-11-25(33-19-24)20-32-14-16-36)5-3-6-27(21)28-7-4-8-29(22(28)2)30-12-9-23(18-34-30)17-31-13-15-35/h3-12,18-19,31-32,35-36H,13-17,20H2,1-2H3
InChIKeyMCCWKRBUASIQIZ-UHFFFAOYSA-N
XLogP4.26
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 54.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[6-[3-[3-[6-[(2-hydroxyethylamino)methyl]-3-pyridinyl]-2-methylphenyl]-2-methylphenyl]-3-pyridinyl]methylamino]ethanol with MolForge

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Related Compounds

BC-1215
CID 72201045
N-(2-pyridylmethyl)-1-[4-(4,10,17-triazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-ylmethyl)phenyl]methanamine
CID 9889638
2-[[8-(2-Methyl-3-phenylanilino)quinolin-3-yl]methylamino]ethanol
CID 129244879
2-[[(3R)-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]ethanol
CID 145949907
N,N-bis(pyridin-2-ylmethyl)-1-[4-[3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]phenyl]methanamine
CID 155516626
N,N-bis(pyridin-2-ylmethyl)-1-[2-[3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]-4-pyridinyl]methanamine
CID 155521909
N,N-bis(pyridin-2-ylmethyl)-1-[2-[2-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]phenyl]methanamine
CID 155525397
N,N-bis(pyridin-2-ylmethyl)-1-[5-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)naphthalen-2-yl]methanamine
CID 155525671
N,N-bis(pyridin-2-ylmethyl)-1-[7-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)naphthalen-2-yl]methanamine
CID 155529113
N,N-bis(pyridin-2-ylmethyl)-1-[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]phenyl]methanamine
CID 155529357
N,N-bis(pyridin-2-ylmethyl)-1-[3-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]phenyl]methanamine
CID 155534602
N,N-bis(pyridin-2-ylmethyl)-1-[6-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)naphthalen-2-yl]methanamine
CID 155546592

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-[3-[6-[(2-hydroxyethylamino)methyl]-3-pyridinyl]-2-methylphenyl]-2-methylphenyl]-3-pyridinyl]methylamino]ethanol?
The IUPAC name of 2-[[6-[3-[3-[6-[(2-hydroxyethylamino)methyl]-3-pyridinyl]-2-methylphenyl]-2-methylphenyl]-3-pyridinyl]methylamino]ethanol (CID 164620434) is 2-[[6-[3-[3-[6-[(2-hydroxyethylamino)methyl]-3-pyridinyl]-2-methylphenyl]-2-methylphenyl]-3-pyridinyl]methylamino]ethanol.
What is the SMILES notation for 2-[[6-[3-[3-[6-[(2-hydroxyethylamino)methyl]-3-pyridinyl]-2-methylphenyl]-2-methylphenyl]-3-pyridinyl]methylamino]ethanol?
The canonical SMILES for 2-[[6-[3-[3-[6-[(2-hydroxyethylamino)methyl]-3-pyridinyl]-2-methylphenyl]-2-methylphenyl]-3-pyridinyl]methylamino]ethanol is Cc1c(-c2ccc(CNCCO)nc2)cccc1-c1cccc(-c2ccc(CNCCO)cn2)c1C.
What is the InChIKey of 2-[[6-[3-[3-[6-[(2-hydroxyethylamino)methyl]-3-pyridinyl]-2-methylphenyl]-2-methylphenyl]-3-pyridinyl]methylamino]ethanol?
The InChIKey is MCCWKRBUASIQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-21-26(24-10-11-25(33-19-24)20-32-14-16-36)5-3-6-27(21)28-7-4-8-29(22(28)2)30-12-9-23(18-34-30)17-31-13-15-35/h3-12,18-19,31-32,35-36H,13-17,20H2,1-2H3.
What are the key properties of 2-[[6-[3-[3-[6-[(2-hydroxyethylamino)methyl]-3-pyridinyl]-2-methylphenyl]-2-methylphenyl]-3-pyridinyl]methylamino]ethanol?
2-[[6-[3-[3-[6-[(2-hydroxyethylamino)methyl]-3-pyridinyl]-2-methylphenyl]-2-methylphenyl]-3-pyridinyl]methylamino]ethanol has a molecular weight of 482.63 g/mol, XLogP of 4.26, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-[3-[6-[(2-hydroxyethylamino)methyl]-3-pyridinyl]-2-methylphenyl]-2-methylphenyl]-3-pyridinyl]methylamino]ethanol is sourced from PubChem (CID 164620434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).