2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide

C22H23N5O — CID 71939760

IUPAC2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C22H23N5O/c28-21(19-11-4-5-12-20(19)25-17-8-2-1-3-9-17)26-18-10-6-15-27(16-18)22-23-13-7-14-24-22/h1-5,7-9,11-14,18,25H,6,10,15-16H2,(H,26,28)
InChIKeyNLSMKIOSCGXXKN-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.62
Rot. Bonds5

About 2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide

2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide (PubChem CID 71939760) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
PubChem CID71939760
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C22H23N5O/c28-21(19-11-4-5-12-20(19)25-17-8-2-1-3-9-17)26-18-10-6-15-27(16-18)22-23-13-7-14-24-22/h1-5,7-9,11-14,18,25H,6,10,15-16H2,(H,26,28)
InChIKeyNLSMKIOSCGXXKN-UHFFFAOYSA-N
XLogP3.62
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55804031
2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide
CID 55802649
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55854355
(3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 97226290
5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide
CID 125178549
1-oxo-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-isoquinoline-3-carboxamide
CID 95580335
2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide
CID 61376709
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
2-anilino-N-(1-benzylpiperidin-4-yl)benzamide
CID 27673255
5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 138036782
5-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolidine-3-carboxamide
CID 52986688
N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide
CID 43712323

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide?
The IUPAC name of 2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide (CID 71939760) is 2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide.
What is the SMILES notation for 2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide?
The canonical SMILES for 2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide is O=C(NC1CCCN(c2ncccn2)C1)c1ccccc1Nc1ccccc1.
What is the InChIKey of 2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide?
The InChIKey is NLSMKIOSCGXXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-21(19-11-4-5-12-20(19)25-17-8-2-1-3-9-17)26-18-10-6-15-27(16-18)22-23-13-7-14-24-22/h1-5,7-9,11-14,18,25H,6,10,15-16H2,(H,26,28).
What are the key properties of 2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide?
2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide has a molecular weight of 373.46 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide is sourced from PubChem (CID 71939760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).