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

C24H23ClFN5O — CID 53372193

IUPAC2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine
SMILESCN(C)CCCOc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C24H23ClFN5O/c1-31(2)11-4-12-32-23-15-27-10-8-20(23)29-21-14-22(18-13-16(25)6-7-19(18)26)30-24-17(21)5-3-9-28-24/h3,5-10,13-15H,4,11-12H2,1-2H3,(H,27,28,29,30)
InChIKeyOKUDQASHHIYMFU-UHFFFAOYSA-N
MW451.93 g/mol
LogP5.56
Rot. Bonds8

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

2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine (PubChem CID 53372193) has the molecular formula C24H23ClFN5O and a molecular weight of 451.93 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine
PubChem CID53372193
Molecular FormulaC24H23ClFN5O
Molecular Weight451.93 g/mol
Exact Mass451.16
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine
SMILESCN(C)CCCOc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C24H23ClFN5O/c1-31(2)11-4-12-32-23-15-27-10-8-20(23)29-21-14-22(18-13-16(25)6-7-19(18)26)30-24-17(21)5-3-9-28-24/h3,5-10,13-15H,4,11-12H2,1-2H3,(H,27,28,29,30)
InChIKeyOKUDQASHHIYMFU-UHFFFAOYSA-N
XLogP5.56
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.93
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[(3-Chloro-2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
CID 70693674
N-[2-(3-chlorophenyl)ethyl]-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967663
6-Fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline
CID 127044078
8-(2-chlorophenyl)-N-[(3R,6S)-6-(2-methyl-4-pyridinyl)oxan-3-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 155556571
1-Tert-butyl-3-(6-(2,6-dichlorophenyl)-2-(4-(2-(diethylamino)ethoxy)phenylamino)pyrido[2,3-d]pyrimidin-7-yl)urea
CID 44294644
N-[4-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 44528799
N-[4-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrimidin-2-yl]-N',N'-diethylpropane-1,3-diamine
CID 44528800
N'-[4-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrimidin-2-yl]propane-1,3-diamine
CID 44528857
N'-[4-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrimidin-2-yl]-N-methylethane-1,2-diamine
CID 44528884
2-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)-4-pyridinyl]quinazolin-4-amine
CID 44532960
N-[4-[(3-chloro-4-fluorophenyl)methyl]-7-(3-morpholin-4-ylpropoxy)pyrido[3,2-d]pyrimidin-6-yl]prop-2-enamide
CID 44564023
N-[4-[(3-chloro-4-fluorophenyl)methyl]-7-(3-morpholin-4-ylpropoxy)pyrido[3,2-d]pyrimidin-6-yl]-N-methylprop-2-enamide
CID 44564024

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine (CID 53372193) is 2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine is CN(C)CCCOc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine?
The InChIKey is OKUDQASHHIYMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O/c1-31(2)11-4-12-32-23-15-27-10-8-20(23)29-21-14-22(18-13-16(25)6-7-19(18)26)30-24-17(21)5-3-9-28-24/h3,5-10,13-15H,4,11-12H2,1-2H3,(H,27,28,29,30).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine?
2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine has a molecular weight of 451.93 g/mol, XLogP of 5.56, 8 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-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 53372193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).