1-N'-(6-chloro-1,8-naphthyridin-2-yl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide

C16H15ClN4O2 — CID 136556713

IUPAC1-N'-(6-chloro-1,8-naphthyridin-2-yl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1ccc2cc(Cl)cnc2n1)C1(C(=O)NC2CC2)CC1
InChIInChI=1S/C16H15ClN4O2/c17-10-7-9-1-4-12(20-13(9)18-8-10)21-15(23)16(5-6-16)14(22)19-11-2-3-11/h1,4,7-8,11H,2-3,5-6H2,(H,19,22)(H,18,20,21,23)
InChIKeyNWMLAKFSUWJDBM-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.28
Rot. Bonds4

About 1-N'-(6-chloro-1,8-naphthyridin-2-yl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide

1-N'-(6-chloro-1,8-naphthyridin-2-yl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide (PubChem CID 136556713) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is 1-N'-(6-chloro-1,8-naphthyridin-2-yl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(6-chloro-1,8-naphthyridin-2-yl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
PubChem CID136556713
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name1-N'-(6-chloro-1,8-naphthyridin-2-yl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1ccc2cc(Cl)cnc2n1)C1(C(=O)NC2CC2)CC1
InChIInChI=1S/C16H15ClN4O2/c17-10-7-9-1-4-12(20-13(9)18-8-10)21-15(23)16(5-6-16)14(22)19-11-2-3-11/h1,4,7-8,11H,2-3,5-6H2,(H,19,22)(H,18,20,21,23)
InChIKeyNWMLAKFSUWJDBM-UHFFFAOYSA-N
XLogP2.28
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-(6-chloro-1,8-naphthyridin-2-yl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(6-chloro-1,8-naphthyridin-2-yl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide (CID 136556713) is 1-N'-(6-chloro-1,8-naphthyridin-2-yl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(6-chloro-1,8-naphthyridin-2-yl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(6-chloro-1,8-naphthyridin-2-yl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide is O=C(Nc1ccc2cc(Cl)cnc2n1)C1(C(=O)NC2CC2)CC1.
What is the InChIKey of 1-N'-(6-chloro-1,8-naphthyridin-2-yl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide?
The InChIKey is NWMLAKFSUWJDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c17-10-7-9-1-4-12(20-13(9)18-8-10)21-15(23)16(5-6-16)14(22)19-11-2-3-11/h1,4,7-8,11H,2-3,5-6H2,(H,19,22)(H,18,20,21,23).
What are the key properties of 1-N'-(6-chloro-1,8-naphthyridin-2-yl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide?
1-N'-(6-chloro-1,8-naphthyridin-2-yl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide has a molecular weight of 330.78 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(6-chloro-1,8-naphthyridin-2-yl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 136556713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).