N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide

C19H22ClN5O2 — CID 46597326

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C19H22ClN5O2/c1-24(13-18(26)23-16-7-3-2-6-15(16)20)19(27)14-5-4-10-25(12-14)17-11-21-8-9-22-17/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3,(H,23,26)
InChIKeyIAMZWRXMPUCVHG-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.44
Rot. Bonds5

About N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 46597326) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID46597326
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C19H22ClN5O2/c1-24(13-18(26)23-16-7-3-2-6-15(16)20)19(27)14-5-4-10-25(12-14)17-11-21-8-9-22-17/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3,(H,23,26)
InChIKeyIAMZWRXMPUCVHG-UHFFFAOYSA-N
XLogP2.44
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597069
N-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167877
(3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94632049
(3S)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94632050
(3S)-N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94101331
N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 75414525
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55654055
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51934569
N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46596626
(3R)-N-(6-methyl-2-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36998696
2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid
CID 119346169
N-[3-chloro-4-(1-phenylethylamino)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 71685358

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 46597326) is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)C1CCCN(c2cnccn2)C1.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is IAMZWRXMPUCVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-24(13-18(26)23-16-7-3-2-6-15(16)20)19(27)14-5-4-10-25(12-14)17-11-21-8-9-22-17/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3,(H,23,26).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 46597326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).