6-(3-bromoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

C21H24BrN3O2 — CID 11430331

IUPAC6-(3-bromoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cnc(Nc2cccc(Br)c2)cc1C1CC1
InChIInChI=1S/C21H24BrN3O2/c22-16-2-1-3-17(10-16)25-20-11-18(15-4-5-15)19(13-23-20)21(26)24-12-14-6-8-27-9-7-14/h1-3,10-11,13-15H,4-9,12H2,(H,23,25)(H,24,26)
InChIKeyMFMYBHHGKONKNN-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.62
Rot. Bonds6

About 6-(3-bromoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

6-(3-bromoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 11430331) has the molecular formula C21H24BrN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is 6-(3-bromoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
PubChem CID11430331
Molecular FormulaC21H24BrN3O2
Molecular Weight430.35 g/mol
Exact Mass429.11
IUPAC Name6-(3-bromoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cnc(Nc2cccc(Br)c2)cc1C1CC1
InChIInChI=1S/C21H24BrN3O2/c22-16-2-1-3-17(10-16)25-20-11-18(15-4-5-15)19(13-23-20)21(26)24-12-14-6-8-27-9-7-14/h1-3,10-11,13-15H,4-9,12H2,(H,23,25)(H,24,26)
InChIKeyMFMYBHHGKONKNN-UHFFFAOYSA-N
XLogP4.62
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-bromoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (CID 11430331) is 6-(3-bromoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCOCC1)c1cnc(Nc2cccc(Br)c2)cc1C1CC1.
What is the InChIKey of 6-(3-bromoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is MFMYBHHGKONKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O2/c22-16-2-1-3-17(10-16)25-20-11-18(15-4-5-15)19(13-23-20)21(26)24-12-14-6-8-27-9-7-14/h1-3,10-11,13-15H,4-9,12H2,(H,23,25)(H,24,26).
What are the key properties of 6-(3-bromoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
6-(3-bromoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 430.35 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 11430331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).