5-bromo-2-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide

C20H19BrN4O2 — CID 166393970

IUPAC5-bromo-2-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1OCCn1ccnc1)c1cc(Br)cnc1C1CC1
InChIInChI=1S/C20H19BrN4O2/c21-15-11-16(19(23-12-15)14-5-6-14)20(26)24-17-3-1-2-4-18(17)27-10-9-25-8-7-22-13-25/h1-4,7-8,11-14H,5-6,9-10H2,(H,24,26)
InChIKeyMUVROHWXWWLAIA-UHFFFAOYSA-N
MW427.30 g/mol
LogP4.25
Rot. Bonds7

About 5-bromo-2-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide

5-bromo-2-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 166393970) has the molecular formula C20H19BrN4O2 and a molecular weight of 427.30 g/mol. Its IUPAC name is 5-bromo-2-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
PubChem CID166393970
Molecular FormulaC20H19BrN4O2
Molecular Weight427.30 g/mol
Exact Mass426.07
IUPAC Name5-bromo-2-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1OCCn1ccnc1)c1cc(Br)cnc1C1CC1
InChIInChI=1S/C20H19BrN4O2/c21-15-11-16(19(23-12-15)14-5-6-14)20(26)24-17-3-1-2-4-18(17)27-10-9-25-8-7-22-13-25/h1-4,7-8,11-14H,5-6,9-10H2,(H,24,26)
InChIKeyMUVROHWXWWLAIA-UHFFFAOYSA-N
XLogP4.25
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclobutyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
CID 166260625
2-(cyclopropylmethylamino)-N-[2-(2-imidazol-1-ylethoxy)phenyl]acetamide;dihydrochloride
CID 119862195
N-[2-(2-imidazol-1-ylethoxy)phenyl]-4-phenylbenzamide
CID 47789751
5-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75613738
3-(2-bromophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
CID 60586152
N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide
CID 119862178
5-bromo-2-(2-imidazol-1-ylethoxy)benzoic acid
CID 28981316
N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 47789441
3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503297
1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea
CID 99833540
3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
CID 47789737
N-[2-(2-imidazol-1-ylethoxy)phenyl]morpholine-2-carboxamide
CID 119862204

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide (CID 166393970) is 5-bromo-2-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1OCCn1ccnc1)c1cc(Br)cnc1C1CC1.
What is the InChIKey of 5-bromo-2-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is MUVROHWXWWLAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O2/c21-15-11-16(19(23-12-15)14-5-6-14)20(26)24-17-3-1-2-4-18(17)27-10-9-25-8-7-22-13-25/h1-4,7-8,11-14H,5-6,9-10H2,(H,24,26).
What are the key properties of 5-bromo-2-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide?
5-bromo-2-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 427.30 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 166393970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).