(3,4-dichlorophenyl)-[4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone

C20H24Cl2N4O — CID 10787547

IUPAC(3,4-dichlorophenyl)-[4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESCNc1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C20H24Cl2N4O/c1-23-19-4-2-3-16(25-19)13-24-12-14-7-9-26(10-8-14)20(27)15-5-6-17(21)18(22)11-15/h2-6,11,14,24H,7-10,12-13H2,1H3,(H,23,25)
InChIKeySFBSYUXHSUTLDP-UHFFFAOYSA-N
MW407.35 g/mol
LogP4.07
Rot. Bonds6

About (3,4-dichlorophenyl)-[4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone

(3,4-dichlorophenyl)-[4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10787547) has the molecular formula C20H24Cl2N4O and a molecular weight of 407.35 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10787547
Molecular FormulaC20H24Cl2N4O
Molecular Weight407.35 g/mol
Exact Mass406.13
IUPAC Name(3,4-dichlorophenyl)-[4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESCNc1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C20H24Cl2N4O/c1-23-19-4-2-3-16(25-19)13-24-12-14-7-9-26(10-8-14)20(27)15-5-6-17(21)18(22)11-15/h2-6,11,14,24H,7-10,12-13H2,1H3,(H,23,25)
InChIKeySFBSYUXHSUTLDP-UHFFFAOYSA-N
XLogP4.07
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3,4-dichlorophenyl)-[4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

PF-01247324
CID 11659955
Wdr5-IN-4
CID 138319680
Pyridine amide, 13
CID 44236999
(3-Chloro-4-fluorophenyl)(4-fluoro-4-((((5-methyl-6-(methylamino)pyridin-2-yl)methyl)amino)methyl)piperidin-1-yl)methanone
CID 9802369
[4-[[[6-(Azetidin-1-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 10025854
(3-Chlorophenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10549236
(3,4-Dichlorophenyl)-[4-[[(6-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10550047
(3,4-Dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10670050
(3-Chloro-4-fluorophenyl)-[4-[[[6-(dimethylamino)-4-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10694238
(3-Chloro-4-fluorophenyl)-[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10694239
(3-Chloro-4-fluorophenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10740939
(3-Chloro-4-methylphenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10764513

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (CID 10787547) is (3,4-dichlorophenyl)-[4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is CNc1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is SFBSYUXHSUTLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O/c1-23-19-4-2-3-16(25-19)13-24-12-14-7-9-26(10-8-14)20(27)15-5-6-17(21)18(22)11-15/h2-6,11,14,24H,7-10,12-13H2,1H3,(H,23,25).
What are the key properties of (3,4-dichlorophenyl)-[4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 407.35 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10787547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).