6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide

C25H24N6O — CID 118500223

IUPAC6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCc1cc(-c2ccc(CNC(=O)c3ccc(-c4ccc(N(C)C)nc4)nc3)cn2)ccn1
InChIInChI=1S/C25H24N6O/c1-17-12-19(10-11-26-17)22-7-4-18(13-27-22)14-30-25(32)21-5-8-23(28-16-21)20-6-9-24(29-15-20)31(2)3/h4-13,15-16H,14H2,1-3H3,(H,30,32)
InChIKeyGWFCYTAMWKRVIR-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.91
Rot. Bonds6

About 6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide

6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 118500223) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID118500223
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCc1cc(-c2ccc(CNC(=O)c3ccc(-c4ccc(N(C)C)nc4)nc3)cn2)ccn1
InChIInChI=1S/C25H24N6O/c1-17-12-19(10-11-26-17)22-7-4-18(13-27-22)14-30-25(32)21-5-8-23(28-16-21)20-6-9-24(29-15-20)31(2)3/h4-13,15-16H,14H2,1-3H3,(H,30,32)
InChIKeyGWFCYTAMWKRVIR-UHFFFAOYSA-N
XLogP3.91
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide (CID 118500223) is 6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide is Cc1cc(-c2ccc(CNC(=O)c3ccc(-c4ccc(N(C)C)nc4)nc3)cn2)ccn1.
What is the InChIKey of 6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is GWFCYTAMWKRVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-17-12-19(10-11-26-17)22-7-4-18(13-27-22)14-30-25(32)21-5-8-23(28-16-21)20-6-9-24(29-15-20)31(2)3/h4-13,15-16H,14H2,1-3H3,(H,30,32).
What are the key properties of 6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 118500223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).