N-(2-amino-2-oxoethyl)-3,4-dihydro-2H-pyran-6-carboxamide

C8H12N2O3 — CID 126997822

IUPACN-(2-amino-2-oxoethyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESNC(=O)CNC(=O)C1=CCCCO1
InChIInChI=1S/C8H12N2O3/c9-7(11)5-10-8(12)6-3-1-2-4-13-6/h3H,1-2,4-5H2,(H2,9,11)(H,10,12)
InChIKeyRLLTXJGMWRFKKX-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.72
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-3,4-dihydro-2H-pyran-6-carboxamide

N-(2-amino-2-oxoethyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 126997822) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID126997822
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC NameN-(2-amino-2-oxoethyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESNC(=O)CNC(=O)C1=CCCCO1
InChIInChI=1S/C8H12N2O3/c9-7(11)5-10-8(12)6-3-1-2-4-13-6/h3H,1-2,4-5H2,(H2,9,11)(H,10,12)
InChIKeyRLLTXJGMWRFKKX-UHFFFAOYSA-N
XLogP-0.72
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dihydro-2H-pyran-6-carbonyl)-3,3-dimethylpiperazin-2-one
CID 71984349
N-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 86796498
(3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one
CID 97090915
6-Methyl-3-ethoxy-5,6-dihydro-2-pyridinol
CID 134612800
N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 96568861
N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 127017391
N-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 130708560
2,3-Dihydrofuran-5-yl(piperazin-1-yl)methanone
CID 70343538
N-[2-(methylamino)ethyl]-2,3-dihydrofuran-5-carboxamide
CID 164089218
4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one
CID 71926656
3,4-dihydro-2H-pyran-6-yl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 120475139
N-butan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 126999597

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 126997822) is N-(2-amino-2-oxoethyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3,4-dihydro-2H-pyran-6-carboxamide is NC(=O)CNC(=O)C1=CCCCO1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is RLLTXJGMWRFKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c9-7(11)5-10-8(12)6-3-1-2-4-13-6/h3H,1-2,4-5H2,(H2,9,11)(H,10,12).
What are the key properties of N-(2-amino-2-oxoethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
N-(2-amino-2-oxoethyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 184.19 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 126997822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).