4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]-2-nitrophenol

C18H19N5O3 — CID 141043970

IUPAC4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]-2-nitrophenol
SMILESO=[N+]([O-])c1cc(Nc2ncc3c(n2)N(C2CCCC2)CC=C3)ccc1O
InChIInChI=1S/C18H19N5O3/c24-16-8-7-13(10-15(16)23(25)26)20-18-19-11-12-4-3-9-22(17(12)21-18)14-5-1-2-6-14/h3-4,7-8,10-11,14,24H,1-2,5-6,9H2,(H,19,20,21)
InChIKeyOGRAZVSTAIPAIM-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.61
Rot. Bonds4

About 4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]-2-nitrophenol

4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]-2-nitrophenol (PubChem CID 141043970) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]-2-nitrophenol.

Molecular Properties

Compound Name4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]-2-nitrophenol
PubChem CID141043970
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]-2-nitrophenol
SMILESO=[N+]([O-])c1cc(Nc2ncc3c(n2)N(C2CCCC2)CC=C3)ccc1O
InChIInChI=1S/C18H19N5O3/c24-16-8-7-13(10-15(16)23(25)26)20-18-19-11-12-4-3-9-22(17(12)21-18)14-5-1-2-6-14/h3-4,7-8,10-11,14,24H,1-2,5-6,9H2,(H,19,20,21)
InChIKeyOGRAZVSTAIPAIM-UHFFFAOYSA-N
XLogP3.61
TPSA104.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]-2-nitrophenol?
The IUPAC name of 4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]-2-nitrophenol (CID 141043970) is 4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]-2-nitrophenol.
What is the SMILES notation for 4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]-2-nitrophenol?
The canonical SMILES for 4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]-2-nitrophenol is O=[N+]([O-])c1cc(Nc2ncc3c(n2)N(C2CCCC2)CC=C3)ccc1O.
What is the InChIKey of 4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]-2-nitrophenol?
The InChIKey is OGRAZVSTAIPAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c24-16-8-7-13(10-15(16)23(25)26)20-18-19-11-12-4-3-9-22(17(12)21-18)14-5-1-2-6-14/h3-4,7-8,10-11,14,24H,1-2,5-6,9H2,(H,19,20,21).
What are the key properties of 4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]-2-nitrophenol?
4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]-2-nitrophenol has a molecular weight of 353.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]-2-nitrophenol is sourced from PubChem (CID 141043970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).