N-(1,2-dimethylpiperidin-3-yl)-N'-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]oxamide

C22H27N5O3 — CID 166209499

IUPACN-(1,2-dimethylpiperidin-3-yl)-N'-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]oxamide
SMILESCC1C(NC(=O)C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)CCCN1C
InChIInChI=1S/C22H27N5O3/c1-15-19(10-6-12-27(15)2)26-22(30)21(29)25-17-9-5-7-16(13-17)20(28)24-14-18-8-3-4-11-23-18/h3-5,7-9,11,13,15,19H,6,10,12,14H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)
InChIKeyZMKKJDRVTSYZDX-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.55
Rot. Bonds5

About N-(1,2-dimethylpiperidin-3-yl)-N'-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]oxamide

N-(1,2-dimethylpiperidin-3-yl)-N'-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]oxamide (PubChem CID 166209499) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(1,2-dimethylpiperidin-3-yl)-N'-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(1,2-dimethylpiperidin-3-yl)-N'-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]oxamide
PubChem CID166209499
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN-(1,2-dimethylpiperidin-3-yl)-N'-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]oxamide
SMILESCC1C(NC(=O)C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)CCCN1C
InChIInChI=1S/C22H27N5O3/c1-15-19(10-6-12-27(15)2)26-22(30)21(29)25-17-9-5-7-16(13-17)20(28)24-14-18-8-3-4-11-23-18/h3-5,7-9,11,13,15,19H,6,10,12,14H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)
InChIKeyZMKKJDRVTSYZDX-UHFFFAOYSA-N
XLogP1.55
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 13177095
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CID 124605707
methyl 3-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate
CID 108985074
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
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CID 166340166
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338632
3-(3-piperidin-3-ylbutanoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 119848954
3-[3-(4-tert-butylphenyl)prop-2-enoylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 55782478
2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 60554928
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55783525

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylpiperidin-3-yl)-N'-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]oxamide?
The IUPAC name of N-(1,2-dimethylpiperidin-3-yl)-N'-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]oxamide (CID 166209499) is N-(1,2-dimethylpiperidin-3-yl)-N'-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]oxamide.
What is the SMILES notation for N-(1,2-dimethylpiperidin-3-yl)-N'-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]oxamide?
The canonical SMILES for N-(1,2-dimethylpiperidin-3-yl)-N'-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]oxamide is CC1C(NC(=O)C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)CCCN1C.
What is the InChIKey of N-(1,2-dimethylpiperidin-3-yl)-N'-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]oxamide?
The InChIKey is ZMKKJDRVTSYZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-15-19(10-6-12-27(15)2)26-22(30)21(29)25-17-9-5-7-16(13-17)20(28)24-14-18-8-3-4-11-23-18/h3-5,7-9,11,13,15,19H,6,10,12,14H2,1-2H3,(H,24,28)(H,25,29)(H,26,30).
What are the key properties of N-(1,2-dimethylpiperidin-3-yl)-N'-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]oxamide?
N-(1,2-dimethylpiperidin-3-yl)-N'-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]oxamide has a molecular weight of 409.49 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylpiperidin-3-yl)-N'-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]oxamide is sourced from PubChem (CID 166209499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).