6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide

C20H20N6O2 — CID 71621158

IUPAC6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2cccnc2)c(C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C20H20N6O2/c1-2-22-20(28)26-18-11-17(24-15-9-6-10-21-12-15)16(13-23-18)19(27)25-14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,25,27)(H3,22,23,24,26,28)
InChIKeyJONHESQYKRXXHZ-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.61
Rot. Bonds6

About 6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide

6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide (PubChem CID 71621158) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide
PubChem CID71621158
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2cccnc2)c(C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C20H20N6O2/c1-2-22-20(28)26-18-11-17(24-15-9-6-10-21-12-15)16(13-23-18)19(27)25-14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,25,27)(H3,22,23,24,26,28)
InChIKeyJONHESQYKRXXHZ-UHFFFAOYSA-N
XLogP3.61
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide (CID 71621158) is 6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide is CCNC(=O)Nc1cc(Nc2cccnc2)c(C(=O)Nc2ccccc2)cn1.
What is the InChIKey of 6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide?
The InChIKey is JONHESQYKRXXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-2-22-20(28)26-18-11-17(24-15-9-6-10-21-12-15)16(13-23-18)19(27)25-14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,25,27)(H3,22,23,24,26,28).
What are the key properties of 6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide?
6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 71621158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).