(3S)-N-[6-(dimethylamino)-2-pyridinyl]-3-ethylpiperidine-1-carboxamide

C15H24N4O — CID 97352928

IUPAC(3S)-N-[6-(dimethylamino)-2-pyridinyl]-3-ethylpiperidine-1-carboxamide
SMILESCC[C@H]1CCCN(C(=O)Nc2cccc(N(C)C)n2)C1
InChIInChI=1S/C15H24N4O/c1-4-12-7-6-10-19(11-12)15(20)17-13-8-5-9-14(16-13)18(2)3/h5,8-9,12H,4,6-7,10-11H2,1-3H3,(H,16,17,20)/t12-/m0/s1
InChIKeyFVRAAWJYNOOGJQ-LBPRGKRZSA-N
MW276.38 g/mol
LogP2.80
Rot. Bonds3

About (3S)-N-[6-(dimethylamino)-2-pyridinyl]-3-ethylpiperidine-1-carboxamide

(3S)-N-[6-(dimethylamino)-2-pyridinyl]-3-ethylpiperidine-1-carboxamide (PubChem CID 97352928) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (3S)-N-[6-(dimethylamino)-2-pyridinyl]-3-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[6-(dimethylamino)-2-pyridinyl]-3-ethylpiperidine-1-carboxamide
PubChem CID97352928
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(3S)-N-[6-(dimethylamino)-2-pyridinyl]-3-ethylpiperidine-1-carboxamide
SMILESCC[C@H]1CCCN(C(=O)Nc2cccc(N(C)C)n2)C1
InChIInChI=1S/C15H24N4O/c1-4-12-7-6-10-19(11-12)15(20)17-13-8-5-9-14(16-13)18(2)3/h5,8-9,12H,4,6-7,10-11H2,1-3H3,(H,16,17,20)/t12-/m0/s1
InChIKeyFVRAAWJYNOOGJQ-LBPRGKRZSA-N
XLogP2.80
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[6-(dimethylamino)-2-pyridinyl]-3-ethylpiperidine-1-carboxamide?
The IUPAC name of (3S)-N-[6-(dimethylamino)-2-pyridinyl]-3-ethylpiperidine-1-carboxamide (CID 97352928) is (3S)-N-[6-(dimethylamino)-2-pyridinyl]-3-ethylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[6-(dimethylamino)-2-pyridinyl]-3-ethylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[6-(dimethylamino)-2-pyridinyl]-3-ethylpiperidine-1-carboxamide is CC[C@H]1CCCN(C(=O)Nc2cccc(N(C)C)n2)C1.
What is the InChIKey of (3S)-N-[6-(dimethylamino)-2-pyridinyl]-3-ethylpiperidine-1-carboxamide?
The InChIKey is FVRAAWJYNOOGJQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-12-7-6-10-19(11-12)15(20)17-13-8-5-9-14(16-13)18(2)3/h5,8-9,12H,4,6-7,10-11H2,1-3H3,(H,16,17,20)/t12-/m0/s1.
What are the key properties of (3S)-N-[6-(dimethylamino)-2-pyridinyl]-3-ethylpiperidine-1-carboxamide?
(3S)-N-[6-(dimethylamino)-2-pyridinyl]-3-ethylpiperidine-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[6-(dimethylamino)-2-pyridinyl]-3-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 97352928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).