6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

C22H19N5O2 — CID 126473939

IUPAC6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2ccco2)nc1NCc1cccnc1
InChIInChI=1S/C22H19N5O2/c28-22(26-15-17-5-2-10-24-13-17)18-7-8-19(20-6-3-11-29-20)27-21(18)25-14-16-4-1-9-23-12-16/h1-13H,14-15H2,(H,25,27)(H,26,28)
InChIKeyVQTXZIBUUAUEPG-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.67
Rot. Bonds7

About 6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (PubChem CID 126473939) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
PubChem CID126473939
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2ccco2)nc1NCc1cccnc1
InChIInChI=1S/C22H19N5O2/c28-22(26-15-17-5-2-10-24-13-17)18-7-8-19(20-6-3-11-29-20)27-21(18)25-14-16-4-1-9-23-12-16/h1-13H,14-15H2,(H,25,27)(H,26,28)
InChIKeyVQTXZIBUUAUEPG-UHFFFAOYSA-N
XLogP3.67
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 37172394
6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 25031781
N-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 25234959
[3-(furan-2-yl)-5-(pyridin-3-ylmethylamino)-1,2,4-triazol-1-yl]-phenylmethanone
CID 53491871
3-(furan-2-yl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 1053382
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 1053527
2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109303262
(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 52904218
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307168
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
6-(5-acetylthiophen-2-yl)-2-(pyridin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 126474249

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (CID 126473939) is 6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is O=C(NCc1cccnc1)c1ccc(-c2ccco2)nc1NCc1cccnc1.
What is the InChIKey of 6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is VQTXZIBUUAUEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c28-22(26-15-17-5-2-10-24-13-17)18-7-8-19(20-6-3-11-29-20)27-21(18)25-14-16-4-1-9-23-12-16/h1-13H,14-15H2,(H,25,27)(H,26,28).
What are the key properties of 6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 126473939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).