2-(3-chloro-4-pyridinyl)-N,N-diethyl-1,7-naphthyridin-4-amine

C17H17ClN4 — CID 135368718

IUPAC2-(3-chloro-4-pyridinyl)-N,N-diethyl-1,7-naphthyridin-4-amine
SMILESCCN(CC)c1cc(-c2ccncc2Cl)nc2cnccc12
InChIInChI=1S/C17H17ClN4/c1-3-22(4-2)17-9-15(12-5-7-19-10-14(12)18)21-16-11-20-8-6-13(16)17/h5-11H,3-4H2,1-2H3
InChIKeyXFEPODGGTULWNF-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.19
Rot. Bonds4

About 2-(3-chloro-4-pyridinyl)-N,N-diethyl-1,7-naphthyridin-4-amine

2-(3-chloro-4-pyridinyl)-N,N-diethyl-1,7-naphthyridin-4-amine (PubChem CID 135368718) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-N,N-diethyl-1,7-naphthyridin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-N,N-diethyl-1,7-naphthyridin-4-amine
PubChem CID135368718
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC Name2-(3-chloro-4-pyridinyl)-N,N-diethyl-1,7-naphthyridin-4-amine
SMILESCCN(CC)c1cc(-c2ccncc2Cl)nc2cnccc12
InChIInChI=1S/C17H17ClN4/c1-3-22(4-2)17-9-15(12-5-7-19-10-14(12)18)21-16-11-20-8-6-13(16)17/h5-11H,3-4H2,1-2H3
InChIKeyXFEPODGGTULWNF-UHFFFAOYSA-N
XLogP4.19
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-N,N-diethyl-1,7-naphthyridin-4-amine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-N,N-diethyl-1,7-naphthyridin-4-amine (CID 135368718) is 2-(3-chloro-4-pyridinyl)-N,N-diethyl-1,7-naphthyridin-4-amine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-N,N-diethyl-1,7-naphthyridin-4-amine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-N,N-diethyl-1,7-naphthyridin-4-amine is CCN(CC)c1cc(-c2ccncc2Cl)nc2cnccc12.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-N,N-diethyl-1,7-naphthyridin-4-amine?
The InChIKey is XFEPODGGTULWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c1-3-22(4-2)17-9-15(12-5-7-19-10-14(12)18)21-16-11-20-8-6-13(16)17/h5-11H,3-4H2,1-2H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-N,N-diethyl-1,7-naphthyridin-4-amine?
2-(3-chloro-4-pyridinyl)-N,N-diethyl-1,7-naphthyridin-4-amine has a molecular weight of 312.80 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-N,N-diethyl-1,7-naphthyridin-4-amine is sourced from PubChem (CID 135368718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).