2-butyl-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-1-benzofuran-3-carboxamide

C23H29N3O3 — CID 167935809

IUPAC2-butyl-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)NCc1ccnc(OCCN(C)C)c1
InChIInChI=1S/C23H29N3O3/c1-4-5-9-20-22(18-8-6-7-10-19(18)29-20)23(27)25-16-17-11-12-24-21(15-17)28-14-13-26(2)3/h6-8,10-12,15H,4-5,9,13-14,16H2,1-3H3,(H,25,27)
InChIKeyOXRVEVPDIMMCAG-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.04
Rot. Bonds10

About 2-butyl-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-1-benzofuran-3-carboxamide

2-butyl-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-1-benzofuran-3-carboxamide (PubChem CID 167935809) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-butyl-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-1-benzofuran-3-carboxamide
PubChem CID167935809
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-butyl-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)NCc1ccnc(OCCN(C)C)c1
InChIInChI=1S/C23H29N3O3/c1-4-5-9-20-22(18-8-6-7-10-19(18)29-20)23(27)25-16-17-11-12-24-21(15-17)28-14-13-26(2)3/h6-8,10-12,15H,4-5,9,13-14,16H2,1-3H3,(H,25,27)
InChIKeyOXRVEVPDIMMCAG-UHFFFAOYSA-N
XLogP4.04
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-butyl-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-oxolan-2-ylmethyl]-2,3-diphenylfuro[2,3-b]pyridin-4-amine
CID 11603130
(S)-7-methoxy-1-((5-oxopyrrolidin-2-yl)methoxy)isoquinoline-6-carboxamide
CID 118414336
(S)-7-ethoxy-1-((5-oxopyrrolidin-2-yl)methoxy)isoquinoline-6-carboxamide
CID 118414397
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-4-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275494
Inicarone
CID 65811
2-(pyridin-4-yl)-4H,5H,6H,7H-furo[3,2-c]pyridin-4-one
CID 24778303
2-(4-Pyridinyl)furo[3,2-C]pyridin-4(5h)-One
CID 53245729
(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
N-[2-(5-Methoxy-2-pyridin-3-ylmethyl-benzofuran-3-yl)-ethyl]-acetamide
CID 11088627
Benzofuran-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606573
N-(6-(2-methylpyridin-3-yloxy)pyridin-3-yl)benzofuran-3-carboxamide
CID 44251240
5-(3-(tert-butylcarbamoyl)phenyl)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 59233666

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-butyl-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-1-benzofuran-3-carboxamide (CID 167935809) is 2-butyl-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-butyl-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-butyl-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-1-benzofuran-3-carboxamide is CCCCc1oc2ccccc2c1C(=O)NCc1ccnc(OCCN(C)C)c1.
What is the InChIKey of 2-butyl-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-1-benzofuran-3-carboxamide?
The InChIKey is OXRVEVPDIMMCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-5-9-20-22(18-8-6-7-10-19(18)29-20)23(27)25-16-17-11-12-24-21(15-17)28-14-13-26(2)3/h6-8,10-12,15H,4-5,9,13-14,16H2,1-3H3,(H,25,27).
What are the key properties of 2-butyl-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-1-benzofuran-3-carboxamide?
2-butyl-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-1-benzofuran-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 167935809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).