N-(5-acetyl-2-pyridinyl)-4-[ethyl(methylsulfonyl)amino]piperidine-1-carboxamide

C16H24N4O4S — CID 167887620

IUPACN-(5-acetyl-2-pyridinyl)-4-[ethyl(methylsulfonyl)amino]piperidine-1-carboxamide
SMILESCCN(C1CCN(C(=O)Nc2ccc(C(C)=O)cn2)CC1)S(C)(=O)=O
InChIInChI=1S/C16H24N4O4S/c1-4-20(25(3,23)24)14-7-9-19(10-8-14)16(22)18-15-6-5-13(11-17-15)12(2)21/h5-6,11,14H,4,7-10H2,1-3H3,(H,17,18,22)
InChIKeyUDVRSARXSBNPSS-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.56
Rot. Bonds5

About N-(5-acetyl-2-pyridinyl)-4-[ethyl(methylsulfonyl)amino]piperidine-1-carboxamide

N-(5-acetyl-2-pyridinyl)-4-[ethyl(methylsulfonyl)amino]piperidine-1-carboxamide (PubChem CID 167887620) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(5-acetyl-2-pyridinyl)-4-[ethyl(methylsulfonyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-2-pyridinyl)-4-[ethyl(methylsulfonyl)amino]piperidine-1-carboxamide
PubChem CID167887620
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC NameN-(5-acetyl-2-pyridinyl)-4-[ethyl(methylsulfonyl)amino]piperidine-1-carboxamide
SMILESCCN(C1CCN(C(=O)Nc2ccc(C(C)=O)cn2)CC1)S(C)(=O)=O
InChIInChI=1S/C16H24N4O4S/c1-4-20(25(3,23)24)14-7-9-19(10-8-14)16(22)18-15-6-5-13(11-17-15)12(2)21/h5-6,11,14H,4,7-10H2,1-3H3,(H,17,18,22)
InChIKeyUDVRSARXSBNPSS-UHFFFAOYSA-N
XLogP1.56
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-pyridinyl)-4-[ethyl(methylsulfonyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-(5-acetyl-2-pyridinyl)-4-[ethyl(methylsulfonyl)amino]piperidine-1-carboxamide (CID 167887620) is N-(5-acetyl-2-pyridinyl)-4-[ethyl(methylsulfonyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-(5-acetyl-2-pyridinyl)-4-[ethyl(methylsulfonyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-(5-acetyl-2-pyridinyl)-4-[ethyl(methylsulfonyl)amino]piperidine-1-carboxamide is CCN(C1CCN(C(=O)Nc2ccc(C(C)=O)cn2)CC1)S(C)(=O)=O.
What is the InChIKey of N-(5-acetyl-2-pyridinyl)-4-[ethyl(methylsulfonyl)amino]piperidine-1-carboxamide?
The InChIKey is UDVRSARXSBNPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-4-20(25(3,23)24)14-7-9-19(10-8-14)16(22)18-15-6-5-13(11-17-15)12(2)21/h5-6,11,14H,4,7-10H2,1-3H3,(H,17,18,22).
What are the key properties of N-(5-acetyl-2-pyridinyl)-4-[ethyl(methylsulfonyl)amino]piperidine-1-carboxamide?
N-(5-acetyl-2-pyridinyl)-4-[ethyl(methylsulfonyl)amino]piperidine-1-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-pyridinyl)-4-[ethyl(methylsulfonyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 167887620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).