6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide

C14H20BrN3O2 — CID 135307811

IUPAC6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Br)ncc1C(=O)NC1CCOCC1
InChIInChI=1S/C14H20BrN3O2/c1-9(2)17-12-7-13(15)16-8-11(12)14(19)18-10-3-5-20-6-4-10/h7-10H,3-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKWDDGSDDHAKTDX-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.57
Rot. Bonds4

About 6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide

6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 135307811) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID135307811
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Br)ncc1C(=O)NC1CCOCC1
InChIInChI=1S/C14H20BrN3O2/c1-9(2)17-12-7-13(15)16-8-11(12)14(19)18-10-3-5-20-6-4-10/h7-10H,3-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKWDDGSDDHAKTDX-UHFFFAOYSA-N
XLogP2.57
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(ethylamino)-N-(oxan-4-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62170112
N-cycloheptyl-2-(propan-2-ylamino)benzamide
CID 63107657
2,4-dibromo-N-(oxan-4-yl)benzamide
CID 103882568
N-(oxan-4-yl)-2-propan-2-ylbenzamide
CID 177167403
N-cyclohexyl-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;formaldehyde
CID 164567946
2-amino-N-(oxan-4-yl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide
CID 169087569
3-(methylamino)-N-(oxan-4-yl)pyridine-4-carboxamide
CID 105068747
N-piperidin-4-yl-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 172633218
N-(4-acetamidocyclohexyl)-6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 139508290
5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
CID 43610272
4-amino-N-(oxan-4-yl)pyridine-3-carboxamide
CID 81242575
N-cyclooctyl-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81233984

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 135307811) is 6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(Br)ncc1C(=O)NC1CCOCC1.
What is the InChIKey of 6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is KWDDGSDDHAKTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-9(2)17-12-7-13(15)16-8-11(12)14(19)18-10-3-5-20-6-4-10/h7-10H,3-6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 342.24 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 135307811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).