N-(5-amino-3-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide

C12H17BrN4O — CID 79160185

IUPACN-(5-amino-3-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ncc(N)cc2Br)CC1
InChIInChI=1S/C12H17BrN4O/c1-8-2-4-17(5-3-8)12(18)16-11-10(13)6-9(14)7-15-11/h6-8H,2-5,14H2,1H3,(H,15,16,18)
InChIKeySEWFBSTVCCSGAS-UHFFFAOYSA-N
MW313.20 g/mol
LogP2.69
Rot. Bonds1

About N-(5-amino-3-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide

N-(5-amino-3-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide (PubChem CID 79160185) has the molecular formula C12H17BrN4O and a molecular weight of 313.20 g/mol. Its IUPAC name is N-(5-amino-3-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-amino-3-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide
PubChem CID79160185
Molecular FormulaC12H17BrN4O
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC NameN-(5-amino-3-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ncc(N)cc2Br)CC1
InChIInChI=1S/C12H17BrN4O/c1-8-2-4-17(5-3-8)12(18)16-11-10(13)6-9(14)7-15-11/h6-8H,2-5,14H2,1H3,(H,15,16,18)
InChIKeySEWFBSTVCCSGAS-UHFFFAOYSA-N
XLogP2.69
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide (CID 79160185) is N-(5-amino-3-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(5-amino-3-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(5-amino-3-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2ncc(N)cc2Br)CC1.
What is the InChIKey of N-(5-amino-3-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is SEWFBSTVCCSGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O/c1-8-2-4-17(5-3-8)12(18)16-11-10(13)6-9(14)7-15-11/h6-8H,2-5,14H2,1H3,(H,15,16,18).
What are the key properties of N-(5-amino-3-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide?
N-(5-amino-3-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 313.20 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79160185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).