N-[3-[3-(cyclohexylcarbamoylamino)-4-fluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide;hydrochloride

C24H27ClFN5O2 — CID 118005868

IUPACN-[3-[3-(cyclohexylcarbamoylamino)-4-fluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc2nc(C)c(-c3ccc(F)c(NC(=O)NC4CCCCC4)c3)cc2cn1.Cl
InChIInChI=1S/C24H26FN5O2.ClH/c1-14-19(10-17-13-26-23(28-15(2)31)12-21(17)27-14)16-8-9-20(25)22(11-16)30-24(32)29-18-6-4-3-5-7-18;/h8-13,18H,3-7H2,1-2H3,(H,26,28,31)(H2,29,30,32);1H
InChIKeyAZCPTGWRSOLJJI-UHFFFAOYSA-N
MW471.96 g/mol
LogP5.58
Rot. Bonds4

About N-[3-[3-(cyclohexylcarbamoylamino)-4-fluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide;hydrochloride

N-[3-[3-(cyclohexylcarbamoylamino)-4-fluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide;hydrochloride (PubChem CID 118005868) has the molecular formula C24H27ClFN5O2 and a molecular weight of 471.96 g/mol. Its IUPAC name is N-[3-[3-(cyclohexylcarbamoylamino)-4-fluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[3-(cyclohexylcarbamoylamino)-4-fluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide;hydrochloride
PubChem CID118005868
Molecular FormulaC24H27ClFN5O2
Molecular Weight471.96 g/mol
Exact Mass471.18
IUPAC NameN-[3-[3-(cyclohexylcarbamoylamino)-4-fluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc2nc(C)c(-c3ccc(F)c(NC(=O)NC4CCCCC4)c3)cc2cn1.Cl
InChIInChI=1S/C24H26FN5O2.ClH/c1-14-19(10-17-13-26-23(28-15(2)31)12-21(17)27-14)16-8-9-20(25)22(11-16)30-24(32)29-18-6-4-3-5-7-18;/h8-13,18H,3-7H2,1-2H3,(H,26,28,31)(H2,29,30,32);1H
InChIKeyAZCPTGWRSOLJJI-UHFFFAOYSA-N
XLogP5.58
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.96
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(cyclohexylcarbamoylamino)-4-fluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide;hydrochloride?
The IUPAC name of N-[3-[3-(cyclohexylcarbamoylamino)-4-fluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide;hydrochloride (CID 118005868) is N-[3-[3-(cyclohexylcarbamoylamino)-4-fluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-[3-(cyclohexylcarbamoylamino)-4-fluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide;hydrochloride?
The canonical SMILES for N-[3-[3-(cyclohexylcarbamoylamino)-4-fluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide;hydrochloride is CC(=O)Nc1cc2nc(C)c(-c3ccc(F)c(NC(=O)NC4CCCCC4)c3)cc2cn1.Cl.
What is the InChIKey of N-[3-[3-(cyclohexylcarbamoylamino)-4-fluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide;hydrochloride?
The InChIKey is AZCPTGWRSOLJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2.ClH/c1-14-19(10-17-13-26-23(28-15(2)31)12-21(17)27-14)16-8-9-20(25)22(11-16)30-24(32)29-18-6-4-3-5-7-18;/h8-13,18H,3-7H2,1-2H3,(H,26,28,31)(H2,29,30,32);1H.
What are the key properties of N-[3-[3-(cyclohexylcarbamoylamino)-4-fluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide;hydrochloride?
N-[3-[3-(cyclohexylcarbamoylamino)-4-fluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide;hydrochloride has a molecular weight of 471.96 g/mol, XLogP of 5.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(cyclohexylcarbamoylamino)-4-fluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide;hydrochloride is sourced from PubChem (CID 118005868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).