(3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide

C12H16BrN3O — CID 99857715

IUPAC(3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide
SMILESC[C@H]1CC[C@H](C(N)=O)CN1c1cc(Br)ccn1
InChIInChI=1S/C12H16BrN3O/c1-8-2-3-9(12(14)17)7-16(8)11-6-10(13)4-5-15-11/h4-6,8-9H,2-3,7H2,1H3,(H2,14,17)/t8-,9-/m0/s1
InChIKeyKTOUTKUTNWFEBL-IUCAKERBSA-N
MW298.18 g/mol
LogP1.93
Rot. Bonds2

About (3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide

(3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide (PubChem CID 99857715) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is (3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide
PubChem CID99857715
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name(3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide
SMILESC[C@H]1CC[C@H](C(N)=O)CN1c1cc(Br)ccn1
InChIInChI=1S/C12H16BrN3O/c1-8-2-3-9(12(14)17)7-16(8)11-6-10(13)4-5-15-11/h4-6,8-9H,2-3,7H2,1H3,(H2,14,17)/t8-,9-/m0/s1
InChIKeyKTOUTKUTNWFEBL-IUCAKERBSA-N
XLogP1.93
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 99857723
1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide
CID 65343443
4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 54988866
1-[5-bromo-2-(1-hydroxyethyl)phenyl]-6-methylpiperidine-3-carboxamide
CID 82970203
1-[2-(1-aminoethyl)-4-bromophenyl]-6-methylpiperidine-3-carboxamide
CID 82968353
1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
CID 47357719
1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide
CID 107544065
1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 114288364
(3R,6R)-1-[5-(difluoromethoxy)-2-pyridinyl]-6-methylpiperidine-3-carboxamide
CID 99857708
6-methyl-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide
CID 86818317
(3S,6R)-6-methyl-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide
CID 129437202
1-[4-(aminomethyl)-6-methyl-2-pyridinyl]-6-methylpiperidine-3-carboxamide
CID 114765163

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide (CID 99857715) is (3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide is C[C@H]1CC[C@H](C(N)=O)CN1c1cc(Br)ccn1.
What is the InChIKey of (3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is KTOUTKUTNWFEBL-IUCAKERBSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-8-2-3-9(12(14)17)7-16(8)11-6-10(13)4-5-15-11/h4-6,8-9H,2-3,7H2,1H3,(H2,14,17)/t8-,9-/m0/s1.
What are the key properties of (3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide?
(3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 99857715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).