N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide

C12H9ClF2N4O — CID 135344532

IUPACN-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide
SMILESNc1nc(Cl)cc2cc(NC(=O)C3CC3(F)F)ncc12
InChIInChI=1S/C12H9ClF2N4O/c13-8-1-5-2-9(17-4-6(5)10(16)18-8)19-11(20)7-3-12(7,14)15/h1-2,4,7H,3H2,(H2,16,18)(H,17,19,20)
InChIKeyRQRDBUMONSULAO-UHFFFAOYSA-N
MW298.68 g/mol
LogP2.46
Rot. Bonds2

About N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide

N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 135344532) has the molecular formula C12H9ClF2N4O and a molecular weight of 298.68 g/mol. Its IUPAC name is N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide
PubChem CID135344532
Molecular FormulaC12H9ClF2N4O
Molecular Weight298.68 g/mol
Exact Mass298.04
IUPAC NameN-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide
SMILESNc1nc(Cl)cc2cc(NC(=O)C3CC3(F)F)ncc12
InChIInChI=1S/C12H9ClF2N4O/c13-8-1-5-2-9(17-4-6(5)10(16)18-8)19-11(20)7-3-12(7,14)15/h1-2,4,7H,3H2,(H2,16,18)(H,17,19,20)
InChIKeyRQRDBUMONSULAO-UHFFFAOYSA-N
XLogP2.46
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.68
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide (CID 135344532) is N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide is Nc1nc(Cl)cc2cc(NC(=O)C3CC3(F)F)ncc12.
What is the InChIKey of N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is RQRDBUMONSULAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N4O/c13-8-1-5-2-9(17-4-6(5)10(16)18-8)19-11(20)7-3-12(7,14)15/h1-2,4,7H,3H2,(H2,16,18)(H,17,19,20).
What are the key properties of N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide?
N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 298.68 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 135344532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).