6-[(2-aminocyclohexyl)amino]-2-[(7-oxo-3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)amino]pyridine-3-carboxamide

C19H21N5O2 — CID 129192413

IUPAC6-[(2-aminocyclohexyl)amino]-2-[(7-oxo-3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NC2CCCCC2N)nc1Nc1ccc2c(=O)c2c1
InChIInChI=1S/C19H21N5O2/c20-14-3-1-2-4-15(14)23-16-8-7-12(18(21)26)19(24-16)22-10-5-6-11-13(9-10)17(11)25/h5-9,14-15H,1-4,20H2,(H2,21,26)(H2,22,23,24)
InChIKeyZPSLIYZDCZEWRX-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.99
Rot. Bonds5

About 6-[(2-aminocyclohexyl)amino]-2-[(7-oxo-3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)amino]pyridine-3-carboxamide

6-[(2-aminocyclohexyl)amino]-2-[(7-oxo-3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)amino]pyridine-3-carboxamide (PubChem CID 129192413) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-[(2-aminocyclohexyl)amino]-2-[(7-oxo-3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-aminocyclohexyl)amino]-2-[(7-oxo-3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)amino]pyridine-3-carboxamide
PubChem CID129192413
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name6-[(2-aminocyclohexyl)amino]-2-[(7-oxo-3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NC2CCCCC2N)nc1Nc1ccc2c(=O)c2c1
InChIInChI=1S/C19H21N5O2/c20-14-3-1-2-4-15(14)23-16-8-7-12(18(21)26)19(24-16)22-10-5-6-11-13(9-10)17(11)25/h5-9,14-15H,1-4,20H2,(H2,21,26)(H2,22,23,24)
InChIKeyZPSLIYZDCZEWRX-UHFFFAOYSA-N
XLogP1.99
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminocyclohexyl)amino]-2-[(7-oxo-3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[(2-aminocyclohexyl)amino]-2-[(7-oxo-3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)amino]pyridine-3-carboxamide (CID 129192413) is 6-[(2-aminocyclohexyl)amino]-2-[(7-oxo-3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-aminocyclohexyl)amino]-2-[(7-oxo-3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[(2-aminocyclohexyl)amino]-2-[(7-oxo-3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)amino]pyridine-3-carboxamide is NC(=O)c1ccc(NC2CCCCC2N)nc1Nc1ccc2c(=O)c2c1.
What is the InChIKey of 6-[(2-aminocyclohexyl)amino]-2-[(7-oxo-3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)amino]pyridine-3-carboxamide?
The InChIKey is ZPSLIYZDCZEWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c20-14-3-1-2-4-15(14)23-16-8-7-12(18(21)26)19(24-16)22-10-5-6-11-13(9-10)17(11)25/h5-9,14-15H,1-4,20H2,(H2,21,26)(H2,22,23,24).
What are the key properties of 6-[(2-aminocyclohexyl)amino]-2-[(7-oxo-3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)amino]pyridine-3-carboxamide?
6-[(2-aminocyclohexyl)amino]-2-[(7-oxo-3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)amino]pyridine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminocyclohexyl)amino]-2-[(7-oxo-3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 129192413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).