N-(2-chloro-3-pyridinyl)-2-(ethylamino)-N-methyl-5-(2-quinolin-4-yloxyethyl)pyridine-3-carboxamide

C25H24ClN5O2 — CID 23582253

IUPACN-(2-chloro-3-pyridinyl)-2-(ethylamino)-N-methyl-5-(2-quinolin-4-yloxyethyl)pyridine-3-carboxamide
SMILESCCNc1ncc(CCOc2ccnc3ccccc23)cc1C(=O)N(C)c1cccnc1Cl
InChIInChI=1S/C25H24ClN5O2/c1-3-27-24-19(25(32)31(2)21-9-6-12-29-23(21)26)15-17(16-30-24)11-14-33-22-10-13-28-20-8-5-4-7-18(20)22/h4-10,12-13,15-16H,3,11,14H2,1-2H3,(H,27,30)
InChIKeyZZVMBTXIJOVOOV-UHFFFAOYSA-N
MW461.95 g/mol
LogP5.01
Rot. Bonds8

About N-(2-chloro-3-pyridinyl)-2-(ethylamino)-N-methyl-5-(2-quinolin-4-yloxyethyl)pyridine-3-carboxamide

N-(2-chloro-3-pyridinyl)-2-(ethylamino)-N-methyl-5-(2-quinolin-4-yloxyethyl)pyridine-3-carboxamide (PubChem CID 23582253) has the molecular formula C25H24ClN5O2 and a molecular weight of 461.95 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-(ethylamino)-N-methyl-5-(2-quinolin-4-yloxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-(ethylamino)-N-methyl-5-(2-quinolin-4-yloxyethyl)pyridine-3-carboxamide
PubChem CID23582253
Molecular FormulaC25H24ClN5O2
Molecular Weight461.95 g/mol
Exact Mass461.16
IUPAC NameN-(2-chloro-3-pyridinyl)-2-(ethylamino)-N-methyl-5-(2-quinolin-4-yloxyethyl)pyridine-3-carboxamide
SMILESCCNc1ncc(CCOc2ccnc3ccccc23)cc1C(=O)N(C)c1cccnc1Cl
InChIInChI=1S/C25H24ClN5O2/c1-3-27-24-19(25(32)31(2)21-9-6-12-29-23(21)26)15-17(16-30-24)11-14-33-22-10-13-28-20-8-5-4-7-18(20)22/h4-10,12-13,15-16H,3,11,14H2,1-2H3,(H,27,30)
InChIKeyZZVMBTXIJOVOOV-UHFFFAOYSA-N
XLogP5.01
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-(ethylamino)-N-methyl-5-(2-quinolin-4-yloxyethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-(ethylamino)-N-methyl-5-(2-quinolin-4-yloxyethyl)pyridine-3-carboxamide (CID 23582253) is N-(2-chloro-3-pyridinyl)-2-(ethylamino)-N-methyl-5-(2-quinolin-4-yloxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-(ethylamino)-N-methyl-5-(2-quinolin-4-yloxyethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-(ethylamino)-N-methyl-5-(2-quinolin-4-yloxyethyl)pyridine-3-carboxamide is CCNc1ncc(CCOc2ccnc3ccccc23)cc1C(=O)N(C)c1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-(ethylamino)-N-methyl-5-(2-quinolin-4-yloxyethyl)pyridine-3-carboxamide?
The InChIKey is ZZVMBTXIJOVOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O2/c1-3-27-24-19(25(32)31(2)21-9-6-12-29-23(21)26)15-17(16-30-24)11-14-33-22-10-13-28-20-8-5-4-7-18(20)22/h4-10,12-13,15-16H,3,11,14H2,1-2H3,(H,27,30).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-(ethylamino)-N-methyl-5-(2-quinolin-4-yloxyethyl)pyridine-3-carboxamide?
N-(2-chloro-3-pyridinyl)-2-(ethylamino)-N-methyl-5-(2-quinolin-4-yloxyethyl)pyridine-3-carboxamide has a molecular weight of 461.95 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-(ethylamino)-N-methyl-5-(2-quinolin-4-yloxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 23582253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).