4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide

C14H16ClN3O2 — CID 122557901

IUPAC4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide
SMILESCOCC(NC(=O)c1cc(Cl)cn1C)c1ccccn1
InChIInChI=1S/C14H16ClN3O2/c1-18-8-10(15)7-13(18)14(19)17-12(9-20-2)11-5-3-4-6-16-11/h3-8,12H,9H2,1-2H3,(H,17,19)
InChIKeySLOJZHUPVSOCFX-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.19
Rot. Bonds5

About 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide

4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide (PubChem CID 122557901) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide
PubChem CID122557901
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide
SMILESCOCC(NC(=O)c1cc(Cl)cn1C)c1ccccn1
InChIInChI=1S/C14H16ClN3O2/c1-18-8-10(15)7-13(18)14(19)17-12(9-20-2)11-5-3-4-6-16-11/h3-8,12H,9H2,1-2H3,(H,17,19)
InChIKeySLOJZHUPVSOCFX-UHFFFAOYSA-N
XLogP2.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide
CID 122562645
2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide
CID 146102795
2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide
CID 122556683
1-(4-chlorophenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)cyclobutane-1-carboxamide
CID 91776945
2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide
CID 125437016
N-(2-methoxy-1-pyridin-2-ylethyl)-2-(4-phenylphenyl)acetamide
CID 24765018
cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 166284882
N-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide
CID 122559880
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-2-thiophen-2-ylacetamide
CID 125441536
3-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 154848001
N-(2-methoxy-1-pyridin-2-ylethyl)-2-pyridin-3-ylacetamide
CID 91774617
4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide
CID 138024674

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide (CID 122557901) is 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide is COCC(NC(=O)c1cc(Cl)cn1C)c1ccccn1.
What is the InChIKey of 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is SLOJZHUPVSOCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-18-8-10(15)7-13(18)14(19)17-12(9-20-2)11-5-3-4-6-16-11/h3-8,12H,9H2,1-2H3,(H,17,19).
What are the key properties of 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide?
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 122557901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).