N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenylpyridine-2-carboxamide

C26H24N4O3 — CID 118715605

IUPACN-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenylpyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(-c3cncc(C)c3)ccc2-c2ccccc2)nc1OC
InChIInChI=1S/C26H24N4O3/c1-17-13-19(15-27-14-17)22-11-10-21(18-7-5-4-6-8-18)24(30-22)25(31)28-16-20-9-12-23(32-2)26(29-20)33-3/h4-15H,16H2,1-3H3,(H,28,31)
InChIKeyUCNAWAJNRHVNRI-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.46
Rot. Bonds7

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

N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenylpyridine-2-carboxamide (PubChem CID 118715605) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenylpyridine-2-carboxamide
PubChem CID118715605
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenylpyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(-c3cncc(C)c3)ccc2-c2ccccc2)nc1OC
InChIInChI=1S/C26H24N4O3/c1-17-13-19(15-27-14-17)22-11-10-21(18-7-5-4-6-8-18)24(30-22)25(31)28-16-20-9-12-23(32-2)26(29-20)33-3/h4-15H,16H2,1-3H3,(H,28,31)
InChIKeyUCNAWAJNRHVNRI-UHFFFAOYSA-N
XLogP4.46
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenylpyridine-2-carboxamide?
The IUPAC name of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenylpyridine-2-carboxamide (CID 118715605) is N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenylpyridine-2-carboxamide?
The canonical SMILES for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenylpyridine-2-carboxamide is COc1ccc(CNC(=O)c2nc(-c3cncc(C)c3)ccc2-c2ccccc2)nc1OC.
What is the InChIKey of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenylpyridine-2-carboxamide?
The InChIKey is UCNAWAJNRHVNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-17-13-19(15-27-14-17)22-11-10-21(18-7-5-4-6-8-18)24(30-22)25(31)28-16-20-9-12-23(32-2)26(29-20)33-3/h4-15H,16H2,1-3H3,(H,28,31).
What are the key properties of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenylpyridine-2-carboxamide?
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenylpyridine-2-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenylpyridine-2-carboxamide is sourced from PubChem (CID 118715605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).