N-[2-(2-hydroxyethoxy)-2-naphthalen-1-ylethyl]pyridine-3-carboxamide

C20H20N2O3 — CID 67663071

IUPACN-[2-(2-hydroxyethoxy)-2-naphthalen-1-ylethyl]pyridine-3-carboxamide
SMILESO=C(NCC(OCCO)c1cccc2ccccc12)c1cccnc1
InChIInChI=1S/C20H20N2O3/c23-11-12-25-19(14-22-20(24)16-7-4-10-21-13-16)18-9-3-6-15-5-1-2-8-17(15)18/h1-10,13,19,23H,11-12,14H2,(H,22,24)
InChIKeyCAPJYRSMRRNFSX-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.71
Rot. Bonds7

About N-[2-(2-hydroxyethoxy)-2-naphthalen-1-ylethyl]pyridine-3-carboxamide

N-[2-(2-hydroxyethoxy)-2-naphthalen-1-ylethyl]pyridine-3-carboxamide (PubChem CID 67663071) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)-2-naphthalen-1-ylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)-2-naphthalen-1-ylethyl]pyridine-3-carboxamide
PubChem CID67663071
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[2-(2-hydroxyethoxy)-2-naphthalen-1-ylethyl]pyridine-3-carboxamide
SMILESO=C(NCC(OCCO)c1cccc2ccccc12)c1cccnc1
InChIInChI=1S/C20H20N2O3/c23-11-12-25-19(14-22-20(24)16-7-4-10-21-13-16)18-9-3-6-15-5-1-2-8-17(15)18/h1-10,13,19,23H,11-12,14H2,(H,22,24)
InChIKeyCAPJYRSMRRNFSX-UHFFFAOYSA-N
XLogP2.71
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide
CID 103722744
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
N-(propan-2-yloxymethyl)pyridine-3-carboxamide
CID 3794279
N-(2-phenyl-2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 110362884
1,3-dichloro-2-(2,6-dichlorophenoxy)benzene;N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 70416673
N-[benzotriazol-1-yl(naphthalen-1-yl)methyl]pyridine-3-carboxamide
CID 118856223
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47178927

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)-2-naphthalen-1-ylethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)-2-naphthalen-1-ylethyl]pyridine-3-carboxamide (CID 67663071) is N-[2-(2-hydroxyethoxy)-2-naphthalen-1-ylethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)-2-naphthalen-1-ylethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)-2-naphthalen-1-ylethyl]pyridine-3-carboxamide is O=C(NCC(OCCO)c1cccc2ccccc12)c1cccnc1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)-2-naphthalen-1-ylethyl]pyridine-3-carboxamide?
The InChIKey is CAPJYRSMRRNFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-11-12-25-19(14-22-20(24)16-7-4-10-21-13-16)18-9-3-6-15-5-1-2-8-17(15)18/h1-10,13,19,23H,11-12,14H2,(H,22,24).
What are the key properties of N-[2-(2-hydroxyethoxy)-2-naphthalen-1-ylethyl]pyridine-3-carboxamide?
N-[2-(2-hydroxyethoxy)-2-naphthalen-1-ylethyl]pyridine-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)-2-naphthalen-1-ylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 67663071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).