N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide

C20H28N4O3 — CID 46054113

IUPACN-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
SMILESCC(C)C(O)CN1CCCN(c2ccc(NC(=O)c3ccco3)cn2)CC1
InChIInChI=1S/C20H28N4O3/c1-15(2)17(25)14-23-8-4-9-24(11-10-23)19-7-6-16(13-21-19)22-20(26)18-5-3-12-27-18/h3,5-7,12-13,15,17,25H,4,8-11,14H2,1-2H3,(H,22,26)
InChIKeyXGIHXVGYWITQQD-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.46
Rot. Bonds6

About N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide

N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide (PubChem CID 46054113) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
PubChem CID46054113
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
SMILESCC(C)C(O)CN1CCCN(c2ccc(NC(=O)c3ccco3)cn2)CC1
InChIInChI=1S/C20H28N4O3/c1-15(2)17(25)14-23-8-4-9-24(11-10-23)19-7-6-16(13-21-19)22-20(26)18-5-3-12-27-18/h3,5-7,12-13,15,17,25H,4,8-11,14H2,1-2H3,(H,22,26)
InChIKeyXGIHXVGYWITQQD-UHFFFAOYSA-N
XLogP2.46
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 42850252
N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 42857915
N-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 42857295
N-[6-[4-(4-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 46084240
N-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 113014476
2-fluoro-N-[6-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 42857888
N-[6-(4-pentanoylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 42849956
N-[6-[4-(2-hydroxybutyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 42857905
N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]furan-2-carboxamide
CID 18144018
N-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 46053082
N-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 30266978
N-[6-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide
CID 42857932

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide (CID 46054113) is N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide is CC(C)C(O)CN1CCCN(c2ccc(NC(=O)c3ccco3)cn2)CC1.
What is the InChIKey of N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide?
The InChIKey is XGIHXVGYWITQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-15(2)17(25)14-23-8-4-9-24(11-10-23)19-7-6-16(13-21-19)22-20(26)18-5-3-12-27-18/h3,5-7,12-13,15,17,25H,4,8-11,14H2,1-2H3,(H,22,26).
What are the key properties of N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide?
N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 46054113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).