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

C23H18ClN5O3 — CID 134136264

IUPAC5-(5-chloro-3-pyridinyl)-N-(5,6-dimethoxy-2-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccn2)nc1OC
InChIInChI=1S/C23H18ClN5O3/c1-31-19-6-7-20(29-23(19)32-2)28-22(30)17-10-15(14-9-16(24)13-25-11-14)12-27-21(17)18-5-3-4-8-26-18/h3-13H,1-2H3,(H,28,29,30)
InChIKeyTXHOETDBZMVSQC-UHFFFAOYSA-N
MW447.88 g/mol
LogP4.52
Rot. Bonds6

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

5-(5-chloro-3-pyridinyl)-N-(5,6-dimethoxy-2-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide (PubChem CID 134136264) has the molecular formula C23H18ClN5O3 and a molecular weight of 447.88 g/mol. Its IUPAC name is 5-(5-chloro-3-pyridinyl)-N-(5,6-dimethoxy-2-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-3-pyridinyl)-N-(5,6-dimethoxy-2-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide
PubChem CID134136264
Molecular FormulaC23H18ClN5O3
Molecular Weight447.88 g/mol
Exact Mass447.11
IUPAC Name5-(5-chloro-3-pyridinyl)-N-(5,6-dimethoxy-2-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccn2)nc1OC
InChIInChI=1S/C23H18ClN5O3/c1-31-19-6-7-20(29-23(19)32-2)28-22(30)17-10-15(14-9-16(24)13-25-11-14)12-27-21(17)18-5-3-4-8-26-18/h3-13H,1-2H3,(H,28,29,30)
InChIKeyTXHOETDBZMVSQC-UHFFFAOYSA-N
XLogP4.52
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.88
LogP ≤ 54.52
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)-2-pyridin-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-(5-chloro-3-pyridinyl)-N-(5,6-dimethoxy-2-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide (CID 134136264) is 5-(5-chloro-3-pyridinyl)-N-(5,6-dimethoxy-2-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-3-pyridinyl)-N-(5,6-dimethoxy-2-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(5-chloro-3-pyridinyl)-N-(5,6-dimethoxy-2-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide is COc1ccc(NC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccn2)nc1OC.
What is the InChIKey of 5-(5-chloro-3-pyridinyl)-N-(5,6-dimethoxy-2-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide?
The InChIKey is TXHOETDBZMVSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O3/c1-31-19-6-7-20(29-23(19)32-2)28-22(30)17-10-15(14-9-16(24)13-25-11-14)12-27-21(17)18-5-3-4-8-26-18/h3-13H,1-2H3,(H,28,29,30).
What are the key properties of 5-(5-chloro-3-pyridinyl)-N-(5,6-dimethoxy-2-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide?
5-(5-chloro-3-pyridinyl)-N-(5,6-dimethoxy-2-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide has a molecular weight of 447.88 g/mol, XLogP of 4.52, 6 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)-2-pyridin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 134136264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).