2-amino-7-chloro-5-methyl-6-prop-2-enyl-1,8-naphthyridine-3-carboxamide

C13H13ClN4O — CID 71453422

IUPAC2-amino-7-chloro-5-methyl-6-prop-2-enyl-1,8-naphthyridine-3-carboxamide
SMILESC=CCc1c(Cl)nc2nc(N)c(C(N)=O)cc2c1C
InChIInChI=1S/C13H13ClN4O/c1-3-4-7-6(2)8-5-9(12(16)19)11(15)18-13(8)17-10(7)14/h3,5H,1,4H2,2H3,(H2,16,19)(H2,15,17,18)
InChIKeyDCVSNQHGWFCKQC-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.00
Rot. Bonds3

About 2-amino-7-chloro-5-methyl-6-prop-2-enyl-1,8-naphthyridine-3-carboxamide

2-amino-7-chloro-5-methyl-6-prop-2-enyl-1,8-naphthyridine-3-carboxamide (PubChem CID 71453422) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 2-amino-7-chloro-5-methyl-6-prop-2-enyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-7-chloro-5-methyl-6-prop-2-enyl-1,8-naphthyridine-3-carboxamide
PubChem CID71453422
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name2-amino-7-chloro-5-methyl-6-prop-2-enyl-1,8-naphthyridine-3-carboxamide
SMILESC=CCc1c(Cl)nc2nc(N)c(C(N)=O)cc2c1C
InChIInChI=1S/C13H13ClN4O/c1-3-4-7-6(2)8-5-9(12(16)19)11(15)18-13(8)17-10(7)14/h3,5H,1,4H2,2H3,(H2,16,19)(H2,15,17,18)
InChIKeyDCVSNQHGWFCKQC-UHFFFAOYSA-N
XLogP2.00
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-chloro-5-methyl-6-prop-2-enyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-amino-7-chloro-5-methyl-6-prop-2-enyl-1,8-naphthyridine-3-carboxamide (CID 71453422) is 2-amino-7-chloro-5-methyl-6-prop-2-enyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-7-chloro-5-methyl-6-prop-2-enyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-7-chloro-5-methyl-6-prop-2-enyl-1,8-naphthyridine-3-carboxamide is C=CCc1c(Cl)nc2nc(N)c(C(N)=O)cc2c1C.
What is the InChIKey of 2-amino-7-chloro-5-methyl-6-prop-2-enyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is DCVSNQHGWFCKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-3-4-7-6(2)8-5-9(12(16)19)11(15)18-13(8)17-10(7)14/h3,5H,1,4H2,2H3,(H2,16,19)(H2,15,17,18).
What are the key properties of 2-amino-7-chloro-5-methyl-6-prop-2-enyl-1,8-naphthyridine-3-carboxamide?
2-amino-7-chloro-5-methyl-6-prop-2-enyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-chloro-5-methyl-6-prop-2-enyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 71453422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).