N-(5,6,9-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl)cyclopropanecarboxamide

C18H20N4O — CID 177044868

IUPACN-(5,6,9-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl)cyclopropanecarboxamide
SMILESCc1cc2c(c(NC(=O)C3CC3)n1)N(C)C(C)c1cccnc1-2
InChIInChI=1S/C18H20N4O/c1-10-9-14-15-13(5-4-8-19-15)11(2)22(3)16(14)17(20-10)21-18(23)12-6-7-12/h4-5,8-9,11-12H,6-7H2,1-3H3,(H,20,21,23)
InChIKeySBENTZTVKTUHMF-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.31
Rot. Bonds2

About N-(5,6,9-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl)cyclopropanecarboxamide

N-(5,6,9-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl)cyclopropanecarboxamide (PubChem CID 177044868) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-(5,6,9-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5,6,9-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl)cyclopropanecarboxamide
PubChem CID177044868
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-(5,6,9-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl)cyclopropanecarboxamide
SMILESCc1cc2c(c(NC(=O)C3CC3)n1)N(C)C(C)c1cccnc1-2
InChIInChI=1S/C18H20N4O/c1-10-9-14-15-13(5-4-8-19-15)11(2)22(3)16(14)17(20-10)21-18(23)12-6-7-12/h4-5,8-9,11-12H,6-7H2,1-3H3,(H,20,21,23)
InChIKeySBENTZTVKTUHMF-UHFFFAOYSA-N
XLogP3.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6,9-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5,6,9-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl)cyclopropanecarboxamide (CID 177044868) is N-(5,6,9-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5,6,9-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5,6,9-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl)cyclopropanecarboxamide is Cc1cc2c(c(NC(=O)C3CC3)n1)N(C)C(C)c1cccnc1-2.
What is the InChIKey of N-(5,6,9-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl)cyclopropanecarboxamide?
The InChIKey is SBENTZTVKTUHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-10-9-14-15-13(5-4-8-19-15)11(2)22(3)16(14)17(20-10)21-18(23)12-6-7-12/h4-5,8-9,11-12H,6-7H2,1-3H3,(H,20,21,23).
What are the key properties of N-(5,6,9-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl)cyclopropanecarboxamide?
N-(5,6,9-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl)cyclopropanecarboxamide has a molecular weight of 308.39 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,9-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl)cyclopropanecarboxamide is sourced from PubChem (CID 177044868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).