N-(2-hydroxy-2-pyridin-4-ylethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

C14H18N2O3 — CID 109480784

IUPACN-(2-hydroxy-2-pyridin-4-ylethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NCC(O)c2ccncc2)CCCO1
InChIInChI=1S/C14H18N2O3/c1-10-12(3-2-8-19-10)14(18)16-9-13(17)11-4-6-15-7-5-11/h4-7,13,17H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyVYKANRLATQRJTD-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.32
Rot. Bonds4

About N-(2-hydroxy-2-pyridin-4-ylethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

N-(2-hydroxy-2-pyridin-4-ylethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 109480784) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-pyridin-4-ylethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-pyridin-4-ylethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID109480784
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(2-hydroxy-2-pyridin-4-ylethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NCC(O)c2ccncc2)CCCO1
InChIInChI=1S/C14H18N2O3/c1-10-12(3-2-8-19-10)14(18)16-9-13(17)11-4-6-15-7-5-11/h4-7,13,17H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyVYKANRLATQRJTD-UHFFFAOYSA-N
XLogP1.32
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-hydroxy-2-pyridin-4-ylethyl)-1-methylpyrazole-4-carboxamide
CID 71911696
tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate
CID 129375181
N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 109477080
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909
4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide
CID 95897248
N-(2-hydroxy-2-pyridin-4-ylethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021673
N-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 42569243
1-[(2S)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 124731247
3-(4-ethylphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide
CID 71911698
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide
CID 43004373
2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide
CID 112827264
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-pyridin-4-ylethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2-pyridin-4-ylethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (CID 109480784) is N-(2-hydroxy-2-pyridin-4-ylethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-pyridin-4-ylethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-pyridin-4-ylethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is CC1=C(C(=O)NCC(O)c2ccncc2)CCCO1.
What is the InChIKey of N-(2-hydroxy-2-pyridin-4-ylethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is VYKANRLATQRJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-12(3-2-8-19-10)14(18)16-9-13(17)11-4-6-15-7-5-11/h4-7,13,17H,2-3,8-9H2,1H3,(H,16,18).
What are the key properties of N-(2-hydroxy-2-pyridin-4-ylethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
N-(2-hydroxy-2-pyridin-4-ylethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-pyridin-4-ylethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 109480784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).