5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide

C24H20ClN5O3 — CID 44633765

IUPAC5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccn2)nc1OC
InChIInChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31)
InChIKeyCKTWQGHVNRYNCM-UHFFFAOYSA-N
MW461.91 g/mol
LogP4.20
Rot. Bonds7

About 5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide

5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide (PubChem CID 44633765) has the molecular formula C24H20ClN5O3 and a molecular weight of 461.91 g/mol. Its IUPAC name is 5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide
PubChem CID44633765
Molecular FormulaC24H20ClN5O3
Molecular Weight461.91 g/mol
Exact Mass461.13
IUPAC Name5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccn2)nc1OC
InChIInChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31)
InChIKeyCKTWQGHVNRYNCM-UHFFFAOYSA-N
XLogP4.20
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide (CID 44633765) is 5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide is COc1ccc(CNC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccn2)nc1OC.
What is the InChIKey of 5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide?
The InChIKey is CKTWQGHVNRYNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31).
What are the key properties of 5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide?
5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide has a molecular weight of 461.91 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 44633765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).