2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide

C16H24N4O2 — CID 164629272

IUPAC2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
SMILESCC[C@]1(C(N)=O)CCCN(c2nc(C)c(C)cc2C(N)=O)C1
InChIInChI=1S/C16H24N4O2/c1-4-16(15(18)22)6-5-7-20(9-16)14-12(13(17)21)8-10(2)11(3)19-14/h8H,4-7,9H2,1-3H3,(H2,17,21)(H2,18,22)/t16-/m0/s1
InChIKeyLJMZHSAWNWIVAP-INIZCTEOSA-N
MW304.39 g/mol
LogP1.28
Rot. Bonds4

About 2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide

2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide (PubChem CID 164629272) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
PubChem CID164629272
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
SMILESCC[C@]1(C(N)=O)CCCN(c2nc(C)c(C)cc2C(N)=O)C1
InChIInChI=1S/C16H24N4O2/c1-4-16(15(18)22)6-5-7-20(9-16)14-12(13(17)21)8-10(2)11(3)19-14/h8H,4-7,9H2,1-3H3,(H2,17,21)(H2,18,22)/t16-/m0/s1
InChIKeyLJMZHSAWNWIVAP-INIZCTEOSA-N
XLogP1.28
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide (CID 164629272) is 2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide is CC[C@]1(C(N)=O)CCCN(c2nc(C)c(C)cc2C(N)=O)C1.
What is the InChIKey of 2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide?
The InChIKey is LJMZHSAWNWIVAP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-4-16(15(18)22)6-5-7-20(9-16)14-12(13(17)21)8-10(2)11(3)19-14/h8H,4-7,9H2,1-3H3,(H2,17,21)(H2,18,22)/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide?
2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 164629272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).