N-[4-(6-butanoyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]acetamide

C22H21N5O2 — CID 170967948

IUPACN-[4-(6-butanoyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]acetamide
SMILESCCCC(=O)c1cc(C)c(-c2cc3cnc(NC(C)=O)cc3n3ccnc23)cn1
InChIInChI=1S/C22H21N5O2/c1-4-5-20(29)18-8-13(2)17(12-24-18)16-9-15-11-25-21(26-14(3)28)10-19(15)27-7-6-23-22(16)27/h6-12H,4-5H2,1-3H3,(H,25,26,28)
InChIKeyZMFCXTOKKNALOQ-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.19
Rot. Bonds5

About N-[4-(6-butanoyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]acetamide

N-[4-(6-butanoyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]acetamide (PubChem CID 170967948) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[4-(6-butanoyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]acetamide.

Molecular Properties

Compound NameN-[4-(6-butanoyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]acetamide
PubChem CID170967948
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-[4-(6-butanoyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]acetamide
SMILESCCCC(=O)c1cc(C)c(-c2cc3cnc(NC(C)=O)cc3n3ccnc23)cn1
InChIInChI=1S/C22H21N5O2/c1-4-5-20(29)18-8-13(2)17(12-24-18)16-9-15-11-25-21(26-14(3)28)10-19(15)27-7-6-23-22(16)27/h6-12H,4-5H2,1-3H3,(H,25,26,28)
InChIKeyZMFCXTOKKNALOQ-UHFFFAOYSA-N
XLogP4.19
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-butanoyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]acetamide?
The IUPAC name of N-[4-(6-butanoyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]acetamide (CID 170967948) is N-[4-(6-butanoyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]acetamide.
What is the SMILES notation for N-[4-(6-butanoyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]acetamide?
The canonical SMILES for N-[4-(6-butanoyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]acetamide is CCCC(=O)c1cc(C)c(-c2cc3cnc(NC(C)=O)cc3n3ccnc23)cn1.
What is the InChIKey of N-[4-(6-butanoyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]acetamide?
The InChIKey is ZMFCXTOKKNALOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-4-5-20(29)18-8-13(2)17(12-24-18)16-9-15-11-25-21(26-14(3)28)10-19(15)27-7-6-23-22(16)27/h6-12H,4-5H2,1-3H3,(H,25,26,28).
What are the key properties of N-[4-(6-butanoyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]acetamide?
N-[4-(6-butanoyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]acetamide has a molecular weight of 387.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-butanoyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]acetamide is sourced from PubChem (CID 170967948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).