[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone;(5,6-dichloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone

C32H39Cl3N6O3 — CID 158897207

IUPAC[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone;(5,6-dichloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2cnc(Cl)c(Cl)c2)C1.CCC1CCCN(C(=O)c2cnc(Nc3ccc(OC)nc3)c(Cl)c2)C1
InChIInChI=1S/C19H23ClN4O2.C13H16Cl2N2O/c1-3-13-5-4-8-24(12-13)19(25)14-9-16(20)18(22-10-14)23-15-6-7-17(26-2)21-11-15;1-2-9-4-3-5-17(8-9)13(18)10-6-11(14)12(15)16-7-10/h6-7,9-11,13H,3-5,8,12H2,1-2H3,(H,22,23);6-7,9H,2-5,8H2,1H3
InChIKeyJEZFCWDMBXIEFR-UHFFFAOYSA-N
MW662.06 g/mol
LogP7.80
Rot. Bonds7

About [5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone;(5,6-dichloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone

[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone;(5,6-dichloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone (PubChem CID 158897207) has the molecular formula C32H39Cl3N6O3 and a molecular weight of 662.06 g/mol. Its IUPAC name is [5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone;(5,6-dichloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone;(5,6-dichloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
PubChem CID158897207
Molecular FormulaC32H39Cl3N6O3
Molecular Weight662.06 g/mol
Exact Mass660.21
IUPAC Name[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone;(5,6-dichloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2cnc(Cl)c(Cl)c2)C1.CCC1CCCN(C(=O)c2cnc(Nc3ccc(OC)nc3)c(Cl)c2)C1
InChIInChI=1S/C19H23ClN4O2.C13H16Cl2N2O/c1-3-13-5-4-8-24(12-13)19(25)14-9-16(20)18(22-10-14)23-15-6-7-17(26-2)21-11-15;1-2-9-4-3-5-17(8-9)13(18)10-6-11(14)12(15)16-7-10/h6-7,9-11,13H,3-5,8,12H2,1-2H3,(H,22,23);6-7,9H,2-5,8H2,1H3
InChIKeyJEZFCWDMBXIEFR-UHFFFAOYSA-N
XLogP7.80
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.06
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone;(5,6-dichloro-3-pyridinyl)-(3-ethylpiperidin-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

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone;(5,6-dichloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone?
The IUPAC name of [5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone;(5,6-dichloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone (CID 158897207) is [5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone;(5,6-dichloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone;(5,6-dichloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone;(5,6-dichloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone is CCC1CCCN(C(=O)c2cnc(Cl)c(Cl)c2)C1.CCC1CCCN(C(=O)c2cnc(Nc3ccc(OC)nc3)c(Cl)c2)C1.
What is the InChIKey of [5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone;(5,6-dichloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone?
The InChIKey is JEZFCWDMBXIEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2.C13H16Cl2N2O/c1-3-13-5-4-8-24(12-13)19(25)14-9-16(20)18(22-10-14)23-15-6-7-17(26-2)21-11-15;1-2-9-4-3-5-17(8-9)13(18)10-6-11(14)12(15)16-7-10/h6-7,9-11,13H,3-5,8,12H2,1-2H3,(H,22,23);6-7,9H,2-5,8H2,1H3.
What are the key properties of [5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone;(5,6-dichloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone?
[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone;(5,6-dichloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone has a molecular weight of 662.06 g/mol, XLogP of 7.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone;(5,6-dichloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 158897207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).