N-[1-(furan-2-yl)ethyl]-N-pyridin-2-yladamantane-1-carboxamide

C22H26N2O2 — CID 2999743

IUPACN-[1-(furan-2-yl)ethyl]-N-pyridin-2-yladamantane-1-carboxamide
SMILESCC(c1ccco1)N(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccn1
InChIInChI=1S/C22H26N2O2/c1-15(19-5-4-8-26-19)24(20-6-2-3-7-23-20)21(25)22-12-16-9-17(13-22)11-18(10-16)14-22/h2-8,15-18H,9-14H2,1H3
InChIKeyJJLRBCCDBYMBAW-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.99
Rot. Bonds4

About N-[1-(furan-2-yl)ethyl]-N-pyridin-2-yladamantane-1-carboxamide

N-[1-(furan-2-yl)ethyl]-N-pyridin-2-yladamantane-1-carboxamide (PubChem CID 2999743) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-N-pyridin-2-yladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-N-pyridin-2-yladamantane-1-carboxamide
PubChem CID2999743
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[1-(furan-2-yl)ethyl]-N-pyridin-2-yladamantane-1-carboxamide
SMILESCC(c1ccco1)N(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccn1
InChIInChI=1S/C22H26N2O2/c1-15(19-5-4-8-26-19)24(20-6-2-3-7-23-20)21(25)22-12-16-9-17(13-22)11-18(10-16)14-22/h2-8,15-18H,9-14H2,1H3
InChIKeyJJLRBCCDBYMBAW-UHFFFAOYSA-N
XLogP4.99
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(furan-2-yl)-3,4''-bipyridin-6-yl)acetamide
CID 46880333
MS 28
CID 195216
Furan-2-carboxylic acid (1-phenethyl-piperidin-4-yl)-pyridin-2-yl-amide
CID 10339454
2-(Furan-2-yl)-3-(4-methylpyridin-2-yl)quinazolin-4-one
CID 645426
N-[(1,1-Dimethyl-propylcarbamoyl)-(4-fluoro-phenyl)-methyl]-N-furan-2-ylmethyl-N'-pyridin-2-yl-succinamide
CID 651822
Furan-2-carboxylic acid {5-[(adamantane-1-carbonyl)-amino]-pyridin-2-yl}-amide
CID 655426
Furan-2-carboxylic acid [5-(cyclohexanecarbonyl-amino)-pyridin-2-yl]-amide
CID 655460
2-(Furan-2-yl)-3-pyridin-2-ylquinazolin-4-one
CID 829486
2-(Furan-2-yl)-3-(3-methylpyridin-2-yl)quinazolin-4-one
CID 829489
N-{1-oxo-3-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}furan-2-carboxamide
CID 2955880
N-[1-(furan-2-yl)ethyl]-4-methyl-N-pyridin-2-ylbenzamide
CID 2999707
Furan-2-yl-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3232768

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-N-pyridin-2-yladamantane-1-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-N-pyridin-2-yladamantane-1-carboxamide (CID 2999743) is N-[1-(furan-2-yl)ethyl]-N-pyridin-2-yladamantane-1-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-N-pyridin-2-yladamantane-1-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-N-pyridin-2-yladamantane-1-carboxamide is CC(c1ccco1)N(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccn1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-N-pyridin-2-yladamantane-1-carboxamide?
The InChIKey is JJLRBCCDBYMBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15(19-5-4-8-26-19)24(20-6-2-3-7-23-20)21(25)22-12-16-9-17(13-22)11-18(10-16)14-22/h2-8,15-18H,9-14H2,1H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-N-pyridin-2-yladamantane-1-carboxamide?
N-[1-(furan-2-yl)ethyl]-N-pyridin-2-yladamantane-1-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-N-pyridin-2-yladamantane-1-carboxamide is sourced from PubChem (CID 2999743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).