4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid

C17H15N5O2 — CID 138695135

IUPAC4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1
InChIInChI=1S/C17H15N5O2/c23-17(24)12-9-19-16(7-14(12)20-11-2-3-11)22-15-4-1-10-8-18-6-5-13(10)21-15/h1,4-9,11H,2-3H2,(H,23,24)(H2,19,20,21,22)
InChIKeyWZNJEZQPCZSMFY-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.04
Rot. Bonds5

About 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid

4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid (PubChem CID 138695135) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid
PubChem CID138695135
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1
InChIInChI=1S/C17H15N5O2/c23-17(24)12-9-19-16(7-14(12)20-11-2-3-11)22-15-4-1-10-8-18-6-5-13(10)21-15/h1,4-9,11H,2-3H2,(H,23,24)(H2,19,20,21,22)
InChIKeyWZNJEZQPCZSMFY-UHFFFAOYSA-N
XLogP3.04
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid (CID 138695135) is 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid is O=C(O)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid?
The InChIKey is WZNJEZQPCZSMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c23-17(24)12-9-19-16(7-14(12)20-11-2-3-11)22-15-4-1-10-8-18-6-5-13(10)21-15/h1,4-9,11H,2-3H2,(H,23,24)(H2,19,20,21,22).
What are the key properties of 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid?
4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid has a molecular weight of 321.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 138695135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).