2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide

C20H18ClN3O2 — CID 55901872

IUPAC2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(Cl)c1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C20H18ClN3O2/c1-14(24-20(25)16-8-10-23-19(21)12-16)15-5-4-7-18(11-15)26-13-17-6-2-3-9-22-17/h2-12,14H,13H2,1H3,(H,24,25)
InChIKeyGRJAIUUGNROTCY-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.20
Rot. Bonds6

About 2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide

2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide (PubChem CID 55901872) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide
PubChem CID55901872
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(Cl)c1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C20H18ClN3O2/c1-14(24-20(25)16-8-10-23-19(21)12-16)15-5-4-7-18(11-15)26-13-17-6-2-3-9-22-17/h2-12,14H,13H2,1H3,(H,24,25)
InChIKeyGRJAIUUGNROTCY-UHFFFAOYSA-N
XLogP4.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 47063190
4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901485
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-[[4-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55902386
3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901608
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 2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide (CID 55901872) is 2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccnc(Cl)c1)c1cccc(OCc2ccccn2)c1.
What is the InChIKey of 2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide?
The InChIKey is GRJAIUUGNROTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-14(24-20(25)16-8-10-23-19(21)12-16)15-5-4-7-18(11-15)26-13-17-6-2-3-9-22-17/h2-12,14H,13H2,1H3,(H,24,25).
What are the key properties of 2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide?
2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 55901872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).