5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(ethylamino)pyridine-3-carboxamide

C15H23BrN4O — CID 105420299

IUPAC5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)NCC1(N(C)C)CCC1
InChIInChI=1S/C15H23BrN4O/c1-4-17-13-12(8-11(16)9-18-13)14(21)19-10-15(20(2)3)6-5-7-15/h8-9H,4-7,10H2,1-3H3,(H,17,18)(H,19,21)
InChIKeyWPOQNPZZYLNUJW-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.49
Rot. Bonds6

About 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(ethylamino)pyridine-3-carboxamide

5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(ethylamino)pyridine-3-carboxamide (PubChem CID 105420299) has the molecular formula C15H23BrN4O and a molecular weight of 355.28 g/mol. Its IUPAC name is 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(ethylamino)pyridine-3-carboxamide
PubChem CID105420299
Molecular FormulaC15H23BrN4O
Molecular Weight355.28 g/mol
Exact Mass354.11
IUPAC Name5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)NCC1(N(C)C)CCC1
InChIInChI=1S/C15H23BrN4O/c1-4-17-13-12(8-11(16)9-18-13)14(21)19-10-15(20(2)3)6-5-7-15/h8-9H,4-7,10H2,1-3H3,(H,17,18)(H,19,21)
InChIKeyWPOQNPZZYLNUJW-UHFFFAOYSA-N
XLogP2.49
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(ethylamino)pyridine-3-carboxamide (CID 105420299) is 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(ethylamino)pyridine-3-carboxamide is CCNc1ncc(Br)cc1C(=O)NCC1(N(C)C)CCC1.
What is the InChIKey of 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(ethylamino)pyridine-3-carboxamide?
The InChIKey is WPOQNPZZYLNUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O/c1-4-17-13-12(8-11(16)9-18-13)14(21)19-10-15(20(2)3)6-5-7-15/h8-9H,4-7,10H2,1-3H3,(H,17,18)(H,19,21).
What are the key properties of 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(ethylamino)pyridine-3-carboxamide?
5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(ethylamino)pyridine-3-carboxamide has a molecular weight of 355.28 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 105420299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).