N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide

C20H19N3O2 — CID 47063190

IUPACN-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C20H19N3O2/c1-15(23-20(24)17-7-5-10-21-13-17)16-6-4-9-19(12-16)25-14-18-8-2-3-11-22-18/h2-13,15H,14H2,1H3,(H,23,24)
InChIKeyLQOLRLBEFRGJMR-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.55
Rot. Bonds6

About N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide

N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 47063190) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
PubChem CID47063190
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C20H19N3O2/c1-15(23-20(24)17-7-5-10-21-13-17)16-6-4-9-19(12-16)25-14-18-8-2-3-11-22-18/h2-13,15H,14H2,1H3,(H,23,24)
InChIKeyLQOLRLBEFRGJMR-UHFFFAOYSA-N
XLogP3.55
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901485
2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 55901872
3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide
CID 55958530
3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55958660
4-methoxy-3-nitro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55902885
3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55958408
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
CID 119852161
3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120503030
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55776871
N-[[4-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55902386
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55959044
1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549388

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide (CID 47063190) is N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide is CC(NC(=O)c1cccnc1)c1cccc(OCc2ccccn2)c1.
What is the InChIKey of N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is LQOLRLBEFRGJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-15(23-20(24)17-7-5-10-21-13-17)16-6-4-9-19(12-16)25-14-18-8-2-3-11-22-18/h2-13,15H,14H2,1H3,(H,23,24).
What are the key properties of N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide?
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 47063190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).