6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C25H23N5O — CID 25031781

IUPAC6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2ccccc2)nc1NCCc1ccccn1
InChIInChI=1S/C25H23N5O/c31-25(29-18-19-7-6-14-26-17-19)22-11-12-23(20-8-2-1-3-9-20)30-24(22)28-16-13-21-10-4-5-15-27-21/h1-12,14-15,17H,13,16,18H2,(H,28,30)(H,29,31)
InChIKeyYQNIYCDVNSXHDM-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.12
Rot. Bonds8

About 6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 25031781) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID25031781
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2ccccc2)nc1NCCc1ccccn1
InChIInChI=1S/C25H23N5O/c31-25(29-18-19-7-6-14-26-17-19)22-11-12-23(20-8-2-1-3-9-20)30-24(22)28-16-13-21-10-4-5-15-27-21/h1-12,14-15,17H,13,16,18H2,(H,28,30)(H,29,31)
InChIKeyYQNIYCDVNSXHDM-UHFFFAOYSA-N
XLogP4.12
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-acetylpiperidin-4-yl)methyl]-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide
CID 25031964
6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 126473939
N-(1,1-dioxothiolan-3-yl)-6-phenyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 126471920
N-[6-(4-methylphenyl)-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269534
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 59740961
N-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 25234959
N-(1,3-benzodioxol-5-yl)-6-phenyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 126473562
6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylic acid;6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;pyridin-3-ylmethanamine;hydroiodide
CID 158680747
6-[2-(3-fluorophenyl)ethylamino]-5-N-(pyridin-3-ylmethyl)pyridine-2,5-dicarboxamide
CID 59738255
N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191023
N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
CID 117090770
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 25031781) is 6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccnc1)c1ccc(-c2ccccc2)nc1NCCc1ccccn1.
What is the InChIKey of 6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is YQNIYCDVNSXHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c31-25(29-18-19-7-6-14-26-17-19)22-11-12-23(20-8-2-1-3-9-20)30-24(22)28-16-13-21-10-4-5-15-27-21/h1-12,14-15,17H,13,16,18H2,(H,28,30)(H,29,31).
What are the key properties of 6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 25031781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).