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

C19H19N7O2 — CID 71620852

IUPAC6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(pyridin-3-ylamino)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2cccnc2)c(C(=O)Nc2cccnc2)cn1
InChIInChI=1S/C19H19N7O2/c1-2-22-19(28)26-17-9-16(24-13-5-3-7-20-10-13)15(12-23-17)18(27)25-14-6-4-8-21-11-14/h3-12H,2H2,1H3,(H,25,27)(H3,22,23,24,26,28)
InChIKeyFQGIFVMQXGSXBK-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.01
Rot. Bonds6

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

6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(pyridin-3-ylamino)pyridine-3-carboxamide (PubChem CID 71620852) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(pyridin-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(pyridin-3-ylamino)pyridine-3-carboxamide
PubChem CID71620852
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(pyridin-3-ylamino)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2cccnc2)c(C(=O)Nc2cccnc2)cn1
InChIInChI=1S/C19H19N7O2/c1-2-22-19(28)26-17-9-16(24-13-5-3-7-20-10-13)15(12-23-17)18(27)25-14-6-4-8-21-11-14/h3-12H,2H2,1H3,(H,25,27)(H3,22,23,24,26,28)
InChIKeyFQGIFVMQXGSXBK-UHFFFAOYSA-N
XLogP3.01
TPSA120.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(pyridin-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(pyridin-3-ylamino)pyridine-3-carboxamide (CID 71620852) is 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(pyridin-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(pyridin-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(pyridin-3-ylamino)pyridine-3-carboxamide is CCNC(=O)Nc1cc(Nc2cccnc2)c(C(=O)Nc2cccnc2)cn1.
What is the InChIKey of 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(pyridin-3-ylamino)pyridine-3-carboxamide?
The InChIKey is FQGIFVMQXGSXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-2-22-19(28)26-17-9-16(24-13-5-3-7-20-10-13)15(12-23-17)18(27)25-14-6-4-8-21-11-14/h3-12H,2H2,1H3,(H,25,27)(H3,22,23,24,26,28).
What are the key properties of 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(pyridin-3-ylamino)pyridine-3-carboxamide?
6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(pyridin-3-ylamino)pyridine-3-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(pyridin-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 71620852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).