2-(5-chloro-2-fluorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine

C23H21ClFN5O — CID 53371930

IUPAC2-(5-chloro-2-fluorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine
SMILESCN(C)CCOc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C23H21ClFN5O/c1-30(2)10-11-31-22-14-26-9-7-19(22)28-20-13-21(17-12-15(24)5-6-18(17)25)29-23-16(20)4-3-8-27-23/h3-9,12-14H,10-11H2,1-2H3,(H,26,27,28,29)
InChIKeySRXDGBYJJQMQPW-UHFFFAOYSA-N
MW437.91 g/mol
LogP5.17
Rot. Bonds7

About 2-(5-chloro-2-fluorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine

2-(5-chloro-2-fluorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine (PubChem CID 53371930) has the molecular formula C23H21ClFN5O and a molecular weight of 437.91 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine
PubChem CID53371930
Molecular FormulaC23H21ClFN5O
Molecular Weight437.91 g/mol
Exact Mass437.14
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine
SMILESCN(C)CCOc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C23H21ClFN5O/c1-30(2)10-11-31-22-14-26-9-7-19(22)28-20-13-21(17-12-15(24)5-6-18(17)25)29-23-16(20)4-3-8-27-23/h3-9,12-14H,10-11H2,1-2H3,(H,26,27,28,29)
InChIKeySRXDGBYJJQMQPW-UHFFFAOYSA-N
XLogP5.17
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.91
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine (CID 53371930) is 2-(5-chloro-2-fluorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine is CN(C)CCOc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine?
The InChIKey is SRXDGBYJJQMQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5O/c1-30(2)10-11-31-22-14-26-9-7-19(22)28-20-13-21(17-12-15(24)5-6-18(17)25)29-23-16(20)4-3-8-27-23/h3-9,12-14H,10-11H2,1-2H3,(H,26,27,28,29).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine?
2-(5-chloro-2-fluorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine has a molecular weight of 437.91 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 53371930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).