4-bromo-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxamide

C14H16BrN3O2 — CID 91672928

IUPAC4-bromo-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxamide
SMILESCOCCn1c(C)c(C(N)=O)c(Br)c1-c1cccnc1
InChIInChI=1S/C14H16BrN3O2/c1-9-11(14(16)19)12(15)13(18(9)6-7-20-2)10-4-3-5-17-8-10/h3-5,8H,6-7H2,1-2H3,(H2,16,19)
InChIKeyPSUGSHNJGIVNCU-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.37
Rot. Bonds5

About 4-bromo-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxamide

4-bromo-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxamide (PubChem CID 91672928) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 4-bromo-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxamide
PubChem CID91672928
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name4-bromo-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxamide
SMILESCOCCn1c(C)c(C(N)=O)c(Br)c1-c1cccnc1
InChIInChI=1S/C14H16BrN3O2/c1-9-11(14(16)19)12(15)13(18(9)6-7-20-2)10-4-3-5-17-8-10/h3-5,8H,6-7H2,1-2H3,(H2,16,19)
InChIKeyPSUGSHNJGIVNCU-UHFFFAOYSA-N
XLogP2.37
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate
CID 91672501
4-bromo-1-(3-methoxypropyl)-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide
CID 91672920
3-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
CID 142354015
methyl 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate
CID 91672211
1-(3-hydroxypropyl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3485149
5-(4-bromophenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxamide
CID 5020639
1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carbonitrile
CID 91672340
1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3867010
methyl 3-(1-benzyl-4-carbamoyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate
CID 3766953
1-(3-hydroxypropyl)-2-methyl-5-propyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 5194686
N-(2,6-dichlorophenyl)-2-[[4-(2-methoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16659054
methyl 3-(4-carbamoyl-1-cyclopropyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate
CID 3736082

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxamide?
The IUPAC name of 4-bromo-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxamide (CID 91672928) is 4-bromo-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxamide?
The canonical SMILES for 4-bromo-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxamide is COCCn1c(C)c(C(N)=O)c(Br)c1-c1cccnc1.
What is the InChIKey of 4-bromo-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxamide?
The InChIKey is PSUGSHNJGIVNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-9-11(14(16)19)12(15)13(18(9)6-7-20-2)10-4-3-5-17-8-10/h3-5,8H,6-7H2,1-2H3,(H2,16,19).
What are the key properties of 4-bromo-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxamide?
4-bromo-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxamide has a molecular weight of 338.21 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 91672928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).