methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate

C18H17N5O2 — CID 138695031

IUPACmethyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1
InChIInChI=1S/C18H17N5O2/c1-25-18(24)13-10-20-17(8-15(13)21-12-3-4-12)23-16-5-2-11-9-19-7-6-14(11)22-16/h2,5-10,12H,3-4H2,1H3,(H2,20,21,22,23)
InChIKeyWDBGOLBGWBLYTN-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.13
Rot. Bonds5

About methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate

methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate (PubChem CID 138695031) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate
PubChem CID138695031
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Namemethyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1
InChIInChI=1S/C18H17N5O2/c1-25-18(24)13-10-20-17(8-15(13)21-12-3-4-12)23-16-5-2-11-9-19-7-6-14(11)22-16/h2,5-10,12H,3-4H2,1H3,(H2,20,21,22,23)
InChIKeyWDBGOLBGWBLYTN-UHFFFAOYSA-N
XLogP3.13
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate (CID 138695031) is methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate is COC(=O)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1.
What is the InChIKey of methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate?
The InChIKey is WDBGOLBGWBLYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-25-18(24)13-10-20-17(8-15(13)21-12-3-4-12)23-16-5-2-11-9-19-7-6-14(11)22-16/h2,5-10,12H,3-4H2,1H3,(H2,20,21,22,23).
What are the key properties of methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate?
methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate has a molecular weight of 335.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate is sourced from PubChem (CID 138695031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).