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

C19H22ClN5O2 — CID 55654055

IUPACN-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C19H22ClN5O2/c1-24(13-17(26)23-16-7-2-6-15(20)11-16)18(27)14-5-3-10-25(12-14)19-21-8-4-9-22-19/h2,4,6-9,11,14H,3,5,10,12-13H2,1H3,(H,23,26)
InChIKeyRMXFRXKUWBHEBC-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.44
Rot. Bonds5

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

N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 55654055) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID55654055
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC NameN-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C19H22ClN5O2/c1-24(13-17(26)23-16-7-2-6-15(20)11-16)18(27)14-5-3-10-25(12-14)19-21-8-4-9-22-19/h2,4,6-9,11,14H,3,5,10,12-13H2,1H3,(H,23,26)
InChIKeyRMXFRXKUWBHEBC-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-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719168
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119732546
N-(3-chlorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53107163
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597326
N-(3-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8542873
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034927
(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51686412
2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 42592251
3-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 134044641
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
N-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597069
(3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 124879553

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 55654055) is N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide is CN(CC(=O)Nc1cccc(Cl)c1)C(=O)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is RMXFRXKUWBHEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-24(13-17(26)23-16-7-2-6-15(20)11-16)18(27)14-5-3-10-25(12-14)19-21-8-4-9-22-19/h2,4,6-9,11,14H,3,5,10,12-13H2,1H3,(H,23,26).
What are the key properties of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrimidin-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-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 55654055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).