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

C12H17BrN4O — CID 103194325

IUPAC1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ncc(Br)cc2N)C1
InChIInChI=1S/C12H17BrN4O/c1-15-12(18)8-3-2-4-17(7-8)11-10(14)5-9(13)6-16-11/h5-6,8H,2-4,7,14H2,1H3,(H,15,18)
InChIKeyFXHNOZARJTUEHQ-UHFFFAOYSA-N
MW313.20 g/mol
LogP1.39
Rot. Bonds2

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

1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103194325) has the molecular formula C12H17BrN4O and a molecular weight of 313.20 g/mol. Its IUPAC name is 1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide
PubChem CID103194325
Molecular FormulaC12H17BrN4O
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ncc(Br)cc2N)C1
InChIInChI=1S/C12H17BrN4O/c1-15-12(18)8-3-2-4-17(7-8)11-10(14)5-9(13)6-16-11/h5-6,8H,2-4,7,14H2,1H3,(H,15,18)
InChIKeyFXHNOZARJTUEHQ-UHFFFAOYSA-N
XLogP1.39
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-bromo-1,5-naphthyridin-4-yl)-N-methylpiperidine-3-carboxamide
CID 104530089
5-bromo-2-(3-methylpiperidin-1-yl)pyridin-3-amine
CID 61228660
1-(4-amino-1-methylpyrazol-3-yl)-N-methylpiperidine-3-carboxamide
CID 103194366
3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 103197754
1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide
CID 172899347
1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 112698998
1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194407
1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194310
1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103194356
1-(4-bromo-2-cyanophenyl)-N-methylpiperidine-3-carboxamide
CID 103721853
1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194316
5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine
CID 63164355

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide (CID 103194325) is 1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2ncc(Br)cc2N)C1.
What is the InChIKey of 1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is FXHNOZARJTUEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O/c1-15-12(18)8-3-2-4-17(7-8)11-10(14)5-9(13)6-16-11/h5-6,8H,2-4,7,14H2,1H3,(H,15,18).
What are the key properties of 1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide?
1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 313.20 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).