N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-2-carboxamide

C16H22BrN3O — CID 62959195

IUPACN-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-2-carboxamide
SMILESO=C(NC1CCNC2(CCCCC2)C1)c1ccc(Br)cn1
InChIInChI=1S/C16H22BrN3O/c17-12-4-5-14(18-11-12)15(21)20-13-6-9-19-16(10-13)7-2-1-3-8-16/h4-5,11,13,19H,1-3,6-10H2,(H,20,21)
InChIKeyRCDPKGMJSOEREV-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.03
Rot. Bonds2

About N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-2-carboxamide

N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-2-carboxamide (PubChem CID 62959195) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-2-carboxamide
PubChem CID62959195
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC NameN-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-2-carboxamide
SMILESO=C(NC1CCNC2(CCCCC2)C1)c1ccc(Br)cn1
InChIInChI=1S/C16H22BrN3O/c17-12-4-5-14(18-11-12)15(21)20-13-6-9-19-16(10-13)7-2-1-3-8-16/h4-5,11,13,19H,1-3,6-10H2,(H,20,21)
InChIKeyRCDPKGMJSOEREV-UHFFFAOYSA-N
XLogP3.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-2-carboxamide?
The IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-2-carboxamide (CID 62959195) is N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-2-carboxamide.
What is the SMILES notation for N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-2-carboxamide?
The canonical SMILES for N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-2-carboxamide is O=C(NC1CCNC2(CCCCC2)C1)c1ccc(Br)cn1.
What is the InChIKey of N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-2-carboxamide?
The InChIKey is RCDPKGMJSOEREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c17-12-4-5-14(18-11-12)15(21)20-13-6-9-19-16(10-13)7-2-1-3-8-16/h4-5,11,13,19H,1-3,6-10H2,(H,20,21).
What are the key properties of N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-2-carboxamide?
N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-2-carboxamide has a molecular weight of 352.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-2-carboxamide is sourced from PubChem (CID 62959195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).