N-[3-[5-[(3-cyano-3-methylbutyl)carbamoylamino]-2,4-difluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide

C24H24F2N6O2 — CID 71737332

IUPACN-[3-[5-[(3-cyano-3-methylbutyl)carbamoylamino]-2,4-difluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide
SMILESCC(=O)Nc1cc2nc(C)c(-c3cc(NC(=O)NCCC(C)(C)C#N)c(F)cc3F)cc2cn1
InChIInChI=1S/C24H24F2N6O2/c1-13-16(7-15-11-29-22(31-14(2)33)10-20(15)30-13)17-8-21(19(26)9-18(17)25)32-23(34)28-6-5-24(3,4)12-27/h7-11H,5-6H2,1-4H3,(H2,28,32,34)(H,29,31,33)
InChIKeyYKICDXOOODXXOT-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.90
Rot. Bonds6

About N-[3-[5-[(3-cyano-3-methylbutyl)carbamoylamino]-2,4-difluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide

N-[3-[5-[(3-cyano-3-methylbutyl)carbamoylamino]-2,4-difluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide (PubChem CID 71737332) has the molecular formula C24H24F2N6O2 and a molecular weight of 466.49 g/mol. Its IUPAC name is N-[3-[5-[(3-cyano-3-methylbutyl)carbamoylamino]-2,4-difluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[(3-cyano-3-methylbutyl)carbamoylamino]-2,4-difluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide
PubChem CID71737332
Molecular FormulaC24H24F2N6O2
Molecular Weight466.49 g/mol
Exact Mass466.19
IUPAC NameN-[3-[5-[(3-cyano-3-methylbutyl)carbamoylamino]-2,4-difluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide
SMILESCC(=O)Nc1cc2nc(C)c(-c3cc(NC(=O)NCCC(C)(C)C#N)c(F)cc3F)cc2cn1
InChIInChI=1S/C24H24F2N6O2/c1-13-16(7-15-11-29-22(31-14(2)33)10-20(15)30-13)17-8-21(19(26)9-18(17)25)32-23(34)28-6-5-24(3,4)12-27/h7-11H,5-6H2,1-4H3,(H2,28,32,34)(H,29,31,33)
InChIKeyYKICDXOOODXXOT-UHFFFAOYSA-N
XLogP4.90
TPSA119.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(3-cyano-3-methylbutyl)carbamoylamino]-2,4-difluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide?
The IUPAC name of N-[3-[5-[(3-cyano-3-methylbutyl)carbamoylamino]-2,4-difluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide (CID 71737332) is N-[3-[5-[(3-cyano-3-methylbutyl)carbamoylamino]-2,4-difluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide.
What is the SMILES notation for N-[3-[5-[(3-cyano-3-methylbutyl)carbamoylamino]-2,4-difluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide?
The canonical SMILES for N-[3-[5-[(3-cyano-3-methylbutyl)carbamoylamino]-2,4-difluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide is CC(=O)Nc1cc2nc(C)c(-c3cc(NC(=O)NCCC(C)(C)C#N)c(F)cc3F)cc2cn1.
What is the InChIKey of N-[3-[5-[(3-cyano-3-methylbutyl)carbamoylamino]-2,4-difluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide?
The InChIKey is YKICDXOOODXXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O2/c1-13-16(7-15-11-29-22(31-14(2)33)10-20(15)30-13)17-8-21(19(26)9-18(17)25)32-23(34)28-6-5-24(3,4)12-27/h7-11H,5-6H2,1-4H3,(H2,28,32,34)(H,29,31,33).
What are the key properties of N-[3-[5-[(3-cyano-3-methylbutyl)carbamoylamino]-2,4-difluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide?
N-[3-[5-[(3-cyano-3-methylbutyl)carbamoylamino]-2,4-difluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide has a molecular weight of 466.49 g/mol, XLogP of 4.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(3-cyano-3-methylbutyl)carbamoylamino]-2,4-difluorophenyl]-2-methyl-1,6-naphthyridin-7-yl]acetamide is sourced from PubChem (CID 71737332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).