N-[5-(2-chloro-5-hydroxy-4-methylanilino)-1,8-naphthyridin-2-yl]acetamide;hydrochloride

C17H16Cl2N4O2 — CID 139855089

IUPACN-[5-(2-chloro-5-hydroxy-4-methylanilino)-1,8-naphthyridin-2-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc2c(Nc3cc(O)c(C)cc3Cl)ccnc2n1.Cl
InChIInChI=1S/C17H15ClN4O2.ClH/c1-9-7-12(18)14(8-15(9)24)21-13-5-6-19-17-11(13)3-4-16(22-17)20-10(2)23;/h3-8,24H,1-2H3,(H2,19,20,21,22,23);1H
InChIKeyKEXWHVWWTANMTJ-UHFFFAOYSA-N
MW379.25 g/mol
LogP4.42
Rot. Bonds3

About N-[5-(2-chloro-5-hydroxy-4-methylanilino)-1,8-naphthyridin-2-yl]acetamide;hydrochloride

N-[5-(2-chloro-5-hydroxy-4-methylanilino)-1,8-naphthyridin-2-yl]acetamide;hydrochloride (PubChem CID 139855089) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is N-[5-(2-chloro-5-hydroxy-4-methylanilino)-1,8-naphthyridin-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(2-chloro-5-hydroxy-4-methylanilino)-1,8-naphthyridin-2-yl]acetamide;hydrochloride
PubChem CID139855089
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC NameN-[5-(2-chloro-5-hydroxy-4-methylanilino)-1,8-naphthyridin-2-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc2c(Nc3cc(O)c(C)cc3Cl)ccnc2n1.Cl
InChIInChI=1S/C17H15ClN4O2.ClH/c1-9-7-12(18)14(8-15(9)24)21-13-5-6-19-17-11(13)3-4-16(22-17)20-10(2)23;/h3-8,24H,1-2H3,(H2,19,20,21,22,23);1H
InChIKeyKEXWHVWWTANMTJ-UHFFFAOYSA-N
XLogP4.42
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-5-hydroxy-4-methylanilino)-1,8-naphthyridin-2-yl]acetamide;hydrochloride?
The IUPAC name of N-[5-(2-chloro-5-hydroxy-4-methylanilino)-1,8-naphthyridin-2-yl]acetamide;hydrochloride (CID 139855089) is N-[5-(2-chloro-5-hydroxy-4-methylanilino)-1,8-naphthyridin-2-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[5-(2-chloro-5-hydroxy-4-methylanilino)-1,8-naphthyridin-2-yl]acetamide;hydrochloride?
The canonical SMILES for N-[5-(2-chloro-5-hydroxy-4-methylanilino)-1,8-naphthyridin-2-yl]acetamide;hydrochloride is CC(=O)Nc1ccc2c(Nc3cc(O)c(C)cc3Cl)ccnc2n1.Cl.
What is the InChIKey of N-[5-(2-chloro-5-hydroxy-4-methylanilino)-1,8-naphthyridin-2-yl]acetamide;hydrochloride?
The InChIKey is KEXWHVWWTANMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2.ClH/c1-9-7-12(18)14(8-15(9)24)21-13-5-6-19-17-11(13)3-4-16(22-17)20-10(2)23;/h3-8,24H,1-2H3,(H2,19,20,21,22,23);1H.
What are the key properties of N-[5-(2-chloro-5-hydroxy-4-methylanilino)-1,8-naphthyridin-2-yl]acetamide;hydrochloride?
N-[5-(2-chloro-5-hydroxy-4-methylanilino)-1,8-naphthyridin-2-yl]acetamide;hydrochloride has a molecular weight of 379.25 g/mol, XLogP of 4.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-5-hydroxy-4-methylanilino)-1,8-naphthyridin-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 139855089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).