[4-chloro-2-(cyclopropylamino)-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone

C17H19ClN4O — CID 3074391

IUPAC[4-chloro-2-(cyclopropylamino)-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1c(NC2CC2)nc2ncccc2c1Cl)N1CCCCC1
InChIInChI=1S/C17H19ClN4O/c18-14-12-5-4-8-19-15(12)21-16(20-11-6-7-11)13(14)17(23)22-9-2-1-3-10-22/h4-5,8,11H,1-3,6-7,9-10H2,(H,19,20,21)
InChIKeyWAXOAFSDGRIOLR-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.48
Rot. Bonds3

About [4-chloro-2-(cyclopropylamino)-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone

[4-chloro-2-(cyclopropylamino)-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone (PubChem CID 3074391) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is [4-chloro-2-(cyclopropylamino)-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-chloro-2-(cyclopropylamino)-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
PubChem CID3074391
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name[4-chloro-2-(cyclopropylamino)-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1c(NC2CC2)nc2ncccc2c1Cl)N1CCCCC1
InChIInChI=1S/C17H19ClN4O/c18-14-12-5-4-8-19-15(12)21-16(20-11-6-7-11)13(14)17(23)22-9-2-1-3-10-22/h4-5,8,11H,1-3,6-7,9-10H2,(H,19,20,21)
InChIKeyWAXOAFSDGRIOLR-UHFFFAOYSA-N
XLogP3.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(cyclopropylamino)-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-chloro-2-(cyclopropylamino)-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone (CID 3074391) is [4-chloro-2-(cyclopropylamino)-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-chloro-2-(cyclopropylamino)-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-chloro-2-(cyclopropylamino)-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone is O=C(c1c(NC2CC2)nc2ncccc2c1Cl)N1CCCCC1.
What is the InChIKey of [4-chloro-2-(cyclopropylamino)-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is WAXOAFSDGRIOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c18-14-12-5-4-8-19-15(12)21-16(20-11-6-7-11)13(14)17(23)22-9-2-1-3-10-22/h4-5,8,11H,1-3,6-7,9-10H2,(H,19,20,21).
What are the key properties of [4-chloro-2-(cyclopropylamino)-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone?
[4-chloro-2-(cyclopropylamino)-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 330.82 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(cyclopropylamino)-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 3074391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).