N-(1-adamantylmethyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

C22H26N2O3 — CID 38029532

IUPACN-(1-adamantylmethyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C22H26N2O3/c25-20-3-1-2-6-24(20)13-18-4-5-19(27-18)21(26)23-14-22-10-15-7-16(11-22)9-17(8-15)12-22/h1-6,15-17H,7-14H2,(H,23,26)
InChIKeyPTWXHMYPYFYMTQ-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.44
Rot. Bonds5

About N-(1-adamantylmethyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

N-(1-adamantylmethyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 38029532) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
PubChem CID38029532
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-(1-adamantylmethyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C22H26N2O3/c25-20-3-1-2-6-24(20)13-18-4-5-19(27-18)21(26)23-14-22-10-15-7-16(11-22)9-17(8-15)12-22/h1-6,15-17H,7-14H2,(H,23,26)
InChIKeyPTWXHMYPYFYMTQ-UHFFFAOYSA-N
XLogP3.44
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-oxo-1-pyridinyl)methyl]-N-[(1-phenylcyclopropyl)methyl]furan-2-carboxamide
CID 33284170
N-[(1-hydroxycycloheptyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 111433258
5-[(2-oxo-1-pyridinyl)methyl]-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide
CID 36598751
N-(2-methylpropyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 47141529
5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide
CID 47141528
N-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31344363
N-[(2R)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597946
N-[(2S)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597949
N-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467608
N-[(3-methoxyphenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024409
N-(1-adamantylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415569
N'-(4-ethylbenzoyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 134024433

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (CID 38029532) is N-(1-adamantylmethyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Cn2ccccc2=O)o1.
What is the InChIKey of N-(1-adamantylmethyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The InChIKey is PTWXHMYPYFYMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-20-3-1-2-6-24(20)13-18-4-5-19(27-18)21(26)23-14-22-10-15-7-16(11-22)9-17(8-15)12-22/h1-6,15-17H,7-14H2,(H,23,26).
What are the key properties of N-(1-adamantylmethyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
N-(1-adamantylmethyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 38029532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).