N',2-diamino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboximidamide

C19H19N5O2 — CID 130289508

IUPACN',2-diamino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboximidamide
SMILESN/N=C(\N)c1cc2c(=O)c3cc(C4=CCCCC4)ccc3oc2nc1N
InChIInChI=1S/C19H19N5O2/c20-17-14(18(21)24-22)9-13-16(25)12-8-11(10-4-2-1-3-5-10)6-7-15(12)26-19(13)23-17/h4,6-9H,1-3,5,22H2,(H2,20,23)(H2,21,24)
InChIKeyOHIPOVPIQLPWDF-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.46
Rot. Bonds2

About N',2-diamino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboximidamide

N',2-diamino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboximidamide (PubChem CID 130289508) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N',2-diamino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN',2-diamino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboximidamide
PubChem CID130289508
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN',2-diamino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboximidamide
SMILESN/N=C(\N)c1cc2c(=O)c3cc(C4=CCCCC4)ccc3oc2nc1N
InChIInChI=1S/C19H19N5O2/c20-17-14(18(21)24-22)9-13-16(25)12-8-11(10-4-2-1-3-5-10)6-7-15(12)26-19(13)23-17/h4,6-9H,1-3,5,22H2,(H2,20,23)(H2,21,24)
InChIKeyOHIPOVPIQLPWDF-UHFFFAOYSA-N
XLogP2.46
TPSA133.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',2-diamino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboximidamide?
The IUPAC name of N',2-diamino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboximidamide (CID 130289508) is N',2-diamino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboximidamide.
What is the SMILES notation for N',2-diamino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboximidamide?
The canonical SMILES for N',2-diamino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboximidamide is N/N=C(\N)c1cc2c(=O)c3cc(C4=CCCCC4)ccc3oc2nc1N.
What is the InChIKey of N',2-diamino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboximidamide?
The InChIKey is OHIPOVPIQLPWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c20-17-14(18(21)24-22)9-13-16(25)12-8-11(10-4-2-1-3-5-10)6-7-15(12)26-19(13)23-17/h4,6-9H,1-3,5,22H2,(H2,20,23)(H2,21,24).
What are the key properties of N',2-diamino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboximidamide?
N',2-diamino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboximidamide has a molecular weight of 349.39 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-diamino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboximidamide is sourced from PubChem (CID 130289508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).