5-[6-(ethylcarbamoylamino)-4-pyridin-3-yl-3-pyridinyl]pyridine-3-carboxylic acid

C19H17N5O3 — CID 59208362

IUPAC5-[6-(ethylcarbamoylamino)-4-pyridin-3-yl-3-pyridinyl]pyridine-3-carboxylic acid
SMILESCCNC(=O)Nc1cc(-c2cccnc2)c(-c2cncc(C(=O)O)c2)cn1
InChIInChI=1S/C19H17N5O3/c1-2-22-19(27)24-17-7-15(12-4-3-5-20-8-12)16(11-23-17)13-6-14(18(25)26)10-21-9-13/h3-11H,2H2,1H3,(H,25,26)(H2,22,23,24,27)
InChIKeyNPRNVMAREMYRDW-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.05
Rot. Bonds5

About 5-[6-(ethylcarbamoylamino)-4-pyridin-3-yl-3-pyridinyl]pyridine-3-carboxylic acid

5-[6-(ethylcarbamoylamino)-4-pyridin-3-yl-3-pyridinyl]pyridine-3-carboxylic acid (PubChem CID 59208362) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 5-[6-(ethylcarbamoylamino)-4-pyridin-3-yl-3-pyridinyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[6-(ethylcarbamoylamino)-4-pyridin-3-yl-3-pyridinyl]pyridine-3-carboxylic acid
PubChem CID59208362
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name5-[6-(ethylcarbamoylamino)-4-pyridin-3-yl-3-pyridinyl]pyridine-3-carboxylic acid
SMILESCCNC(=O)Nc1cc(-c2cccnc2)c(-c2cncc(C(=O)O)c2)cn1
InChIInChI=1S/C19H17N5O3/c1-2-22-19(27)24-17-7-15(12-4-3-5-20-8-12)16(11-23-17)13-6-14(18(25)26)10-21-9-13/h3-11H,2H2,1H3,(H,25,26)(H2,22,23,24,27)
InChIKeyNPRNVMAREMYRDW-UHFFFAOYSA-N
XLogP3.05
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(ethylcarbamoylamino)-4-pyridin-3-yl-3-pyridinyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[6-(ethylcarbamoylamino)-4-pyridin-3-yl-3-pyridinyl]pyridine-3-carboxylic acid (CID 59208362) is 5-[6-(ethylcarbamoylamino)-4-pyridin-3-yl-3-pyridinyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[6-(ethylcarbamoylamino)-4-pyridin-3-yl-3-pyridinyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[6-(ethylcarbamoylamino)-4-pyridin-3-yl-3-pyridinyl]pyridine-3-carboxylic acid is CCNC(=O)Nc1cc(-c2cccnc2)c(-c2cncc(C(=O)O)c2)cn1.
What is the InChIKey of 5-[6-(ethylcarbamoylamino)-4-pyridin-3-yl-3-pyridinyl]pyridine-3-carboxylic acid?
The InChIKey is NPRNVMAREMYRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-2-22-19(27)24-17-7-15(12-4-3-5-20-8-12)16(11-23-17)13-6-14(18(25)26)10-21-9-13/h3-11H,2H2,1H3,(H,25,26)(H2,22,23,24,27).
What are the key properties of 5-[6-(ethylcarbamoylamino)-4-pyridin-3-yl-3-pyridinyl]pyridine-3-carboxylic acid?
5-[6-(ethylcarbamoylamino)-4-pyridin-3-yl-3-pyridinyl]pyridine-3-carboxylic acid has a molecular weight of 363.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(ethylcarbamoylamino)-4-pyridin-3-yl-3-pyridinyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 59208362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).