N-[1-(furan-2-yl)ethyl]-3,5,7-trimethyl-N-pyridin-2-yladamantane-1-carboxamide

C25H32N2O2 — CID 3580479

IUPACN-[1-(furan-2-yl)ethyl]-3,5,7-trimethyl-N-pyridin-2-yladamantane-1-carboxamide
SMILESCC(c1ccco1)N(C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2)c1ccccn1
InChIInChI=1S/C25H32N2O2/c1-18(19-8-7-11-29-19)27(20-9-5-6-10-26-20)21(28)25-15-22(2)12-23(3,16-25)14-24(4,13-22)17-25/h5-11,18H,12-17H2,1-4H3
InChIKeyNLQVQAITVCMXKF-UHFFFAOYSA-N
MW392.54 g/mol
LogP6.16
Rot. Bonds4

About N-[1-(furan-2-yl)ethyl]-3,5,7-trimethyl-N-pyridin-2-yladamantane-1-carboxamide

N-[1-(furan-2-yl)ethyl]-3,5,7-trimethyl-N-pyridin-2-yladamantane-1-carboxamide (PubChem CID 3580479) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-3,5,7-trimethyl-N-pyridin-2-yladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-3,5,7-trimethyl-N-pyridin-2-yladamantane-1-carboxamide
PubChem CID3580479
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-[1-(furan-2-yl)ethyl]-3,5,7-trimethyl-N-pyridin-2-yladamantane-1-carboxamide
SMILESCC(c1ccco1)N(C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2)c1ccccn1
InChIInChI=1S/C25H32N2O2/c1-18(19-8-7-11-29-19)27(20-9-5-6-10-26-20)21(28)25-15-22(2)12-23(3,16-25)14-24(4,13-22)17-25/h5-11,18H,12-17H2,1-4H3
InChIKeyNLQVQAITVCMXKF-UHFFFAOYSA-N
XLogP6.16
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 56.16
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
N-[1-(furan-2-yl)ethyl]-N-pyridin-2-yladamantane-1-carboxamide
CID 2999743
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
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]-3,5,7-trimethyl-N-pyridin-2-yladamantane-1-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-3,5,7-trimethyl-N-pyridin-2-yladamantane-1-carboxamide (CID 3580479) is N-[1-(furan-2-yl)ethyl]-3,5,7-trimethyl-N-pyridin-2-yladamantane-1-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-3,5,7-trimethyl-N-pyridin-2-yladamantane-1-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-3,5,7-trimethyl-N-pyridin-2-yladamantane-1-carboxamide is CC(c1ccco1)N(C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2)c1ccccn1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-3,5,7-trimethyl-N-pyridin-2-yladamantane-1-carboxamide?
The InChIKey is NLQVQAITVCMXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-18(19-8-7-11-29-19)27(20-9-5-6-10-26-20)21(28)25-15-22(2)12-23(3,16-25)14-24(4,13-22)17-25/h5-11,18H,12-17H2,1-4H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-3,5,7-trimethyl-N-pyridin-2-yladamantane-1-carboxamide?
N-[1-(furan-2-yl)ethyl]-3,5,7-trimethyl-N-pyridin-2-yladamantane-1-carboxamide has a molecular weight of 392.54 g/mol, XLogP of 6.16, 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]-3,5,7-trimethyl-N-pyridin-2-yladamantane-1-carboxamide is sourced from PubChem (CID 3580479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).