6-[(2-aminocyclohexyl)amino]-8-(3-methylanilino)-2H-2,7-naphthyridin-1-one

C21H25N5O — CID 155560050

IUPAC6-[(2-aminocyclohexyl)amino]-8-(3-methylanilino)-2H-2,7-naphthyridin-1-one
SMILESCc1cccc(Nc2nc(NC3CCCCC3N)cc3cc[nH]c(=O)c23)c1
InChIInChI=1S/C21H25N5O/c1-13-5-4-6-15(11-13)24-20-19-14(9-10-23-21(19)27)12-18(26-20)25-17-8-3-2-7-16(17)22/h4-6,9-12,16-17H,2-3,7-8,22H2,1H3,(H,23,27)(H2,24,25,26)
InChIKeyVGCGSJJJHOPEEF-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.66
Rot. Bonds4

About 6-[(2-aminocyclohexyl)amino]-8-(3-methylanilino)-2H-2,7-naphthyridin-1-one

6-[(2-aminocyclohexyl)amino]-8-(3-methylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 155560050) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-[(2-aminocyclohexyl)amino]-8-(3-methylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-[(2-aminocyclohexyl)amino]-8-(3-methylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID155560050
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name6-[(2-aminocyclohexyl)amino]-8-(3-methylanilino)-2H-2,7-naphthyridin-1-one
SMILESCc1cccc(Nc2nc(NC3CCCCC3N)cc3cc[nH]c(=O)c23)c1
InChIInChI=1S/C21H25N5O/c1-13-5-4-6-15(11-13)24-20-19-14(9-10-23-21(19)27)12-18(26-20)25-17-8-3-2-7-16(17)22/h4-6,9-12,16-17H,2-3,7-8,22H2,1H3,(H,23,27)(H2,24,25,26)
InChIKeyVGCGSJJJHOPEEF-UHFFFAOYSA-N
XLogP3.66
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminocyclohexyl)amino]-8-(3-methylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-[(2-aminocyclohexyl)amino]-8-(3-methylanilino)-2H-2,7-naphthyridin-1-one (CID 155560050) is 6-[(2-aminocyclohexyl)amino]-8-(3-methylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-[(2-aminocyclohexyl)amino]-8-(3-methylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-[(2-aminocyclohexyl)amino]-8-(3-methylanilino)-2H-2,7-naphthyridin-1-one is Cc1cccc(Nc2nc(NC3CCCCC3N)cc3cc[nH]c(=O)c23)c1.
What is the InChIKey of 6-[(2-aminocyclohexyl)amino]-8-(3-methylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is VGCGSJJJHOPEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-13-5-4-6-15(11-13)24-20-19-14(9-10-23-21(19)27)12-18(26-20)25-17-8-3-2-7-16(17)22/h4-6,9-12,16-17H,2-3,7-8,22H2,1H3,(H,23,27)(H2,24,25,26).
What are the key properties of 6-[(2-aminocyclohexyl)amino]-8-(3-methylanilino)-2H-2,7-naphthyridin-1-one?
6-[(2-aminocyclohexyl)amino]-8-(3-methylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 363.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminocyclohexyl)amino]-8-(3-methylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 155560050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).