4-bromo-N-ethyl-1-propan-2-yl-N-pyridin-4-ylpyrrole-2-carboxamide

C15H18BrN3O — CID 103707553

IUPAC4-bromo-N-ethyl-1-propan-2-yl-N-pyridin-4-ylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(Br)cn1C(C)C)c1ccncc1
InChIInChI=1S/C15H18BrN3O/c1-4-18(13-5-7-17-8-6-13)15(20)14-9-12(16)10-19(14)11(2)3/h5-11H,4H2,1-3H3
InChIKeyGBKWBVXKZRLPCB-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.89
Rot. Bonds4

About 4-bromo-N-ethyl-1-propan-2-yl-N-pyridin-4-ylpyrrole-2-carboxamide

4-bromo-N-ethyl-1-propan-2-yl-N-pyridin-4-ylpyrrole-2-carboxamide (PubChem CID 103707553) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-bromo-N-ethyl-1-propan-2-yl-N-pyridin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-1-propan-2-yl-N-pyridin-4-ylpyrrole-2-carboxamide
PubChem CID103707553
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name4-bromo-N-ethyl-1-propan-2-yl-N-pyridin-4-ylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(Br)cn1C(C)C)c1ccncc1
InChIInChI=1S/C15H18BrN3O/c1-4-18(13-5-7-17-8-6-13)15(20)14-9-12(16)10-19(14)11(2)3/h5-11H,4H2,1-3H3
InChIKeyGBKWBVXKZRLPCB-UHFFFAOYSA-N
XLogP3.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641536
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)-propan-2-ylamino]acetic acid
CID 60831562
3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide
CID 104854747
4-bromo-N-methyl-N-pentan-2-yl-1-propan-2-ylpyrrole-2-carboxamide
CID 43641769
4-bromo-N-(4-hydroxyphenyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 43640162
4-bromo-N-[2-(2-methylpropanoylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61248454
4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide
CID 60807774
4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 107733259
5-bromo-2-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 113236092
4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 64511499
4-bromo-N-(2-methoxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 112754506
(2R)-2-amino-N-ethyl-N-pyridin-4-ylpropanamide
CID 106935605

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-1-propan-2-yl-N-pyridin-4-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-ethyl-1-propan-2-yl-N-pyridin-4-ylpyrrole-2-carboxamide (CID 103707553) is 4-bromo-N-ethyl-1-propan-2-yl-N-pyridin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-ethyl-1-propan-2-yl-N-pyridin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-ethyl-1-propan-2-yl-N-pyridin-4-ylpyrrole-2-carboxamide is CCN(C(=O)c1cc(Br)cn1C(C)C)c1ccncc1.
What is the InChIKey of 4-bromo-N-ethyl-1-propan-2-yl-N-pyridin-4-ylpyrrole-2-carboxamide?
The InChIKey is GBKWBVXKZRLPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-4-18(13-5-7-17-8-6-13)15(20)14-9-12(16)10-19(14)11(2)3/h5-11H,4H2,1-3H3.
What are the key properties of 4-bromo-N-ethyl-1-propan-2-yl-N-pyridin-4-ylpyrrole-2-carboxamide?
4-bromo-N-ethyl-1-propan-2-yl-N-pyridin-4-ylpyrrole-2-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-1-propan-2-yl-N-pyridin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 103707553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).