4-bromo-1-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrrole-2-carboxamide

C14H16BrN3O2 — CID 61249259

IUPAC4-bromo-1-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NCc1ccc(OC)nc1
InChIInChI=1S/C14H16BrN3O2/c1-3-18-9-11(15)6-12(18)14(19)17-8-10-4-5-13(20-2)16-7-10/h4-7,9H,3,8H2,1-2H3,(H,17,19)
InChIKeyHUCCUGLWSJMWNF-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.60
Rot. Bonds5

About 4-bromo-1-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrrole-2-carboxamide

4-bromo-1-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrrole-2-carboxamide (PubChem CID 61249259) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrrole-2-carboxamide
PubChem CID61249259
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name4-bromo-1-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NCc1ccc(OC)nc1
InChIInChI=1S/C14H16BrN3O2/c1-3-18-9-11(15)6-12(18)14(19)17-8-10-4-5-13(20-2)16-7-10/h4-7,9H,3,8H2,1-2H3,(H,17,19)
InChIKeyHUCCUGLWSJMWNF-UHFFFAOYSA-N
XLogP2.60
TPSA56.15 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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-ethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide
CID 62727673
5-[[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81092573
4-[[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]methyl]benzoic acid
CID 43639565
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
4-bromo-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 55137906
4-bromo-1-ethyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide
CID 62728987
4-bromo-1-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrole-2-carboxamide
CID 54902024
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
4-amino-N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 60779952
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
4-bromo-1-ethyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide
CID 56551808
N-[(4-aminophenyl)methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 116650037

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrrole-2-carboxamide (CID 61249259) is 4-bromo-1-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)NCc1ccc(OC)nc1.
What is the InChIKey of 4-bromo-1-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrrole-2-carboxamide?
The InChIKey is HUCCUGLWSJMWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-3-18-9-11(15)6-12(18)14(19)17-8-10-4-5-13(20-2)16-7-10/h4-7,9H,3,8H2,1-2H3,(H,17,19).
What are the key properties of 4-bromo-1-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrrole-2-carboxamide has a molecular weight of 338.21 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 61249259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).