N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-methylcyclobutane-1-carboxamide

C14H13Cl2N3O — CID 135345039

IUPACN-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-methylcyclobutane-1-carboxamide
SMILESCC1CCC1C(=O)Nc1cc2cc(Cl)nc(Cl)c2cn1
InChIInChI=1S/C14H13Cl2N3O/c1-7-2-3-9(7)14(20)19-12-5-8-4-11(15)18-13(16)10(8)6-17-12/h4-7,9H,2-3H2,1H3,(H,17,19,20)
InChIKeyWPIHAKPIRLTSPV-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.92
Rot. Bonds2

About N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-methylcyclobutane-1-carboxamide

N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-methylcyclobutane-1-carboxamide (PubChem CID 135345039) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-methylcyclobutane-1-carboxamide
PubChem CID135345039
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC NameN-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-methylcyclobutane-1-carboxamide
SMILESCC1CCC1C(=O)Nc1cc2cc(Cl)nc(Cl)c2cn1
InChIInChI=1S/C14H13Cl2N3O/c1-7-2-3-9(7)14(20)19-12-5-8-4-11(15)18-13(16)10(8)6-17-12/h4-7,9H,2-3H2,1H3,(H,17,19,20)
InChIKeyWPIHAKPIRLTSPV-UHFFFAOYSA-N
XLogP3.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-methylcyclobutane-1-carboxamide?
The IUPAC name of N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-methylcyclobutane-1-carboxamide (CID 135345039) is N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-methylcyclobutane-1-carboxamide is CC1CCC1C(=O)Nc1cc2cc(Cl)nc(Cl)c2cn1.
What is the InChIKey of N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-methylcyclobutane-1-carboxamide?
The InChIKey is WPIHAKPIRLTSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-7-2-3-9(7)14(20)19-12-5-8-4-11(15)18-13(16)10(8)6-17-12/h4-7,9H,2-3H2,1H3,(H,17,19,20).
What are the key properties of N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-methylcyclobutane-1-carboxamide?
N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-methylcyclobutane-1-carboxamide has a molecular weight of 310.18 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 135345039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).