N-[2-(pyridin-3-ylamino)ethyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide

C20H23N3O2 — CID 77089109

IUPACN-[2-(pyridin-3-ylamino)ethyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)NCCNc3cccnc3)coc2c1C
InChIInChI=1S/C20H23N3O2/c1-13-9-14(2)19-16(12-25-20(19)15(13)3)10-18(24)23-8-7-22-17-5-4-6-21-11-17/h4-6,9,11-12,22H,7-8,10H2,1-3H3,(H,23,24)
InChIKeyMMQINYXAHVHCSI-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.52
Rot. Bonds6

About N-[2-(pyridin-3-ylamino)ethyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide

N-[2-(pyridin-3-ylamino)ethyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 77089109) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-(pyridin-3-ylamino)ethyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(pyridin-3-ylamino)ethyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
PubChem CID77089109
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-(pyridin-3-ylamino)ethyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)NCCNc3cccnc3)coc2c1C
InChIInChI=1S/C20H23N3O2/c1-13-9-14(2)19-16(12-25-20(19)15(13)3)10-18(24)23-8-7-22-17-5-4-6-21-11-17/h4-6,9,11-12,22H,7-8,10H2,1-3H3,(H,23,24)
InChIKeyMMQINYXAHVHCSI-UHFFFAOYSA-N
XLogP3.52
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(pyridin-3-ylamino)ethyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[2-(pyridin-3-ylamino)ethyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide (CID 77089109) is N-[2-(pyridin-3-ylamino)ethyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[2-(pyridin-3-ylamino)ethyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[2-(pyridin-3-ylamino)ethyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide is Cc1cc(C)c2c(CC(=O)NCCNc3cccnc3)coc2c1C.
What is the InChIKey of N-[2-(pyridin-3-ylamino)ethyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is MMQINYXAHVHCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-9-14(2)19-16(12-25-20(19)15(13)3)10-18(24)23-8-7-22-17-5-4-6-21-11-17/h4-6,9,11-12,22H,7-8,10H2,1-3H3,(H,23,24).
What are the key properties of N-[2-(pyridin-3-ylamino)ethyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
N-[2-(pyridin-3-ylamino)ethyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 337.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyridin-3-ylamino)ethyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 77089109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).