N-[5-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]-2-pyridinyl]acetamide

C24H18N4O2 — CID 122457544

IUPACN-[5-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc3cncc(-c4cc5ccccc5o4)c3c2)cn1
InChIInChI=1S/C24H18N4O2/c1-15(29)27-24-9-8-19(13-26-24)28-18-7-6-17-12-25-14-21(20(17)11-18)23-10-16-4-2-3-5-22(16)30-23/h2-14,28H,1H3,(H,26,27,29)
InChIKeyKCBJXDUPZWYTRQ-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.74
Rot. Bonds4

About N-[5-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]-2-pyridinyl]acetamide

N-[5-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]-2-pyridinyl]acetamide (PubChem CID 122457544) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[5-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]-2-pyridinyl]acetamide
PubChem CID122457544
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC NameN-[5-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc3cncc(-c4cc5ccccc5o4)c3c2)cn1
InChIInChI=1S/C24H18N4O2/c1-15(29)27-24-9-8-19(13-26-24)28-18-7-6-17-12-25-14-21(20(17)11-18)23-10-16-4-2-3-5-22(16)30-23/h2-14,28H,1H3,(H,26,27,29)
InChIKeyKCBJXDUPZWYTRQ-UHFFFAOYSA-N
XLogP5.74
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]-2-pyridinyl]acetamide with MolForge

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Related Compounds

4-(1-benzofuran-2-yl)-N-pyridin-4-ylisoquinolin-6-amine
CID 122457666
4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide
CID 122495279
N'-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]ethane-1,2-diamine
CID 122457476
tert-butyl N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]carbamate;tert-butyl N-(4-bromoisoquinolin-6-yl)carbamate;palladium;tetrakis(triphenylphosphane)
CID 160528767
4-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1,4-diamine;[4-(1-benzofuran-2-yl)isoquinolin-6-yl] trifluoromethanesulfonate;tert-butyl 2-[4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]cyclohexyl]acetate
CID 161451912
[1-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]piperidin-4-yl]carbamic acid
CID 122457727
[4-(1-benzofuran-2-yl)isoquinolin-6-yl] (S)-trifluoromethanesulfinate
CID 122495177
N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034847
4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methylamino]pyridin-3-ol
CID 122495273
[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol
CID 122457435
tert-butyl 4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]piperazine-1-carboxylate
CID 122495133
methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
CID 113035161

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]-2-pyridinyl]acetamide (CID 122457544) is N-[5-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(Nc2ccc3cncc(-c4cc5ccccc5o4)c3c2)cn1.
What is the InChIKey of N-[5-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]-2-pyridinyl]acetamide?
The InChIKey is KCBJXDUPZWYTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-15(29)27-24-9-8-19(13-26-24)28-18-7-6-17-12-25-14-21(20(17)11-18)23-10-16-4-2-3-5-22(16)30-23/h2-14,28H,1H3,(H,26,27,29).
What are the key properties of N-[5-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]-2-pyridinyl]acetamide?
N-[5-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 394.43 g/mol, XLogP of 5.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 122457544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).