2-[N-methyl-4-[[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]anilino]ethanol

C26H33N5O — CID 110265525

IUPAC2-[N-methyl-4-[[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]anilino]ethanol
SMILESCc1cccnc1Nc1cccc(C2CCCN(Cc3ccc(N(C)CCO)cc3)C2)n1
InChIInChI=1S/C26H33N5O/c1-20-6-4-14-27-26(20)29-25-9-3-8-24(28-25)22-7-5-15-31(19-22)18-21-10-12-23(13-11-21)30(2)16-17-32/h3-4,6,8-14,22,32H,5,7,15-19H2,1-2H3,(H,27,28,29)
InChIKeyRFXWSLSPTAFBQY-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.34
Rot. Bonds8

About 2-[N-methyl-4-[[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]anilino]ethanol

2-[N-methyl-4-[[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]anilino]ethanol (PubChem CID 110265525) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is 2-[N-methyl-4-[[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-methyl-4-[[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]anilino]ethanol
PubChem CID110265525
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC Name2-[N-methyl-4-[[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]anilino]ethanol
SMILESCc1cccnc1Nc1cccc(C2CCCN(Cc3ccc(N(C)CCO)cc3)C2)n1
InChIInChI=1S/C26H33N5O/c1-20-6-4-14-27-26(20)29-25-9-3-8-24(28-25)22-7-5-15-31(19-22)18-21-10-12-23(13-11-21)30(2)16-17-32/h3-4,6,8-14,22,32H,5,7,15-19H2,1-2H3,(H,27,28,29)
InChIKeyRFXWSLSPTAFBQY-UHFFFAOYSA-N
XLogP4.34
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[N-methyl-4-[[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]anilino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 110265515
6-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 95835978
2-[(3R)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95835904
N-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835954
2-(1-hydroxycyclohexyl)-1-[(3S)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
CID 124997525
2-(2,4-difluorophenoxy)-1-[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110093714
N-(3-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-3-yl)pyridin-2-amine
CID 110265497
1-[(3S)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone
CID 124943483
1-[2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265055
6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 110265540
2-methoxy-1-[(2S)-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835160
3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine
CID 110111464

Frequently Asked Questions

What is the IUPAC name of 2-[N-methyl-4-[[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]anilino]ethanol?
The IUPAC name of 2-[N-methyl-4-[[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]anilino]ethanol (CID 110265525) is 2-[N-methyl-4-[[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]anilino]ethanol.
What is the SMILES notation for 2-[N-methyl-4-[[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]anilino]ethanol?
The canonical SMILES for 2-[N-methyl-4-[[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]anilino]ethanol is Cc1cccnc1Nc1cccc(C2CCCN(Cc3ccc(N(C)CCO)cc3)C2)n1.
What is the InChIKey of 2-[N-methyl-4-[[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]anilino]ethanol?
The InChIKey is RFXWSLSPTAFBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-20-6-4-14-27-26(20)29-25-9-3-8-24(28-25)22-7-5-15-31(19-22)18-21-10-12-23(13-11-21)30(2)16-17-32/h3-4,6,8-14,22,32H,5,7,15-19H2,1-2H3,(H,27,28,29).
What are the key properties of 2-[N-methyl-4-[[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]anilino]ethanol?
2-[N-methyl-4-[[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]anilino]ethanol has a molecular weight of 431.58 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-methyl-4-[[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]anilino]ethanol is sourced from PubChem (CID 110265525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).