2-[[3-amino-2-(6-chloro-1,5-naphthyridin-3-yl)prop-2-enylidene]amino]-N,N-dimethylacetamide

C15H16ClN5O — CID 144665730

IUPAC2-[[3-amino-2-(6-chloro-1,5-naphthyridin-3-yl)prop-2-enylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C/C(=CN)c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C15H16ClN5O/c1-21(2)15(22)9-18-7-11(6-17)10-5-13-12(19-8-10)3-4-14(16)20-13/h3-8H,9,17H2,1-2H3/b11-6?,18-7+
InChIKeyKPBJBPURGIVMKU-AJJNSKRKSA-N
MW317.78 g/mol
LogP1.74
Rot. Bonds4

About 2-[[3-amino-2-(6-chloro-1,5-naphthyridin-3-yl)prop-2-enylidene]amino]-N,N-dimethylacetamide

2-[[3-amino-2-(6-chloro-1,5-naphthyridin-3-yl)prop-2-enylidene]amino]-N,N-dimethylacetamide (PubChem CID 144665730) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-[[3-amino-2-(6-chloro-1,5-naphthyridin-3-yl)prop-2-enylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[3-amino-2-(6-chloro-1,5-naphthyridin-3-yl)prop-2-enylidene]amino]-N,N-dimethylacetamide
PubChem CID144665730
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name2-[[3-amino-2-(6-chloro-1,5-naphthyridin-3-yl)prop-2-enylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C/C(=CN)c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C15H16ClN5O/c1-21(2)15(22)9-18-7-11(6-17)10-5-13-12(19-8-10)3-4-14(16)20-13/h3-8H,9,17H2,1-2H3/b11-6?,18-7+
InChIKeyKPBJBPURGIVMKU-AJJNSKRKSA-N
XLogP1.74
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-2-(6-chloro-1,5-naphthyridin-3-yl)prop-2-enylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[3-amino-2-(6-chloro-1,5-naphthyridin-3-yl)prop-2-enylidene]amino]-N,N-dimethylacetamide (CID 144665730) is 2-[[3-amino-2-(6-chloro-1,5-naphthyridin-3-yl)prop-2-enylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[3-amino-2-(6-chloro-1,5-naphthyridin-3-yl)prop-2-enylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[3-amino-2-(6-chloro-1,5-naphthyridin-3-yl)prop-2-enylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C/C(=CN)c1cnc2ccc(Cl)nc2c1.
What is the InChIKey of 2-[[3-amino-2-(6-chloro-1,5-naphthyridin-3-yl)prop-2-enylidene]amino]-N,N-dimethylacetamide?
The InChIKey is KPBJBPURGIVMKU-AJJNSKRKSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-21(2)15(22)9-18-7-11(6-17)10-5-13-12(19-8-10)3-4-14(16)20-13/h3-8H,9,17H2,1-2H3/b11-6?,18-7+.
What are the key properties of 2-[[3-amino-2-(6-chloro-1,5-naphthyridin-3-yl)prop-2-enylidene]amino]-N,N-dimethylacetamide?
2-[[3-amino-2-(6-chloro-1,5-naphthyridin-3-yl)prop-2-enylidene]amino]-N,N-dimethylacetamide has a molecular weight of 317.78 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-2-(6-chloro-1,5-naphthyridin-3-yl)prop-2-enylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 144665730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).