N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide

C19H21ClN4O2 — CID 16580767

IUPACN-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESO=C(CN1CCC(NC(=O)c2ccccc2)CC1)Nc1cccnc1Cl
InChIInChI=1S/C19H21ClN4O2/c20-18-16(7-4-10-21-18)23-17(25)13-24-11-8-15(9-12-24)22-19(26)14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2,(H,22,26)(H,23,25)
InChIKeyAZWXOFHRBUMJIO-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.57
Rot. Bonds5

About N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide

N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide (PubChem CID 16580767) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
PubChem CID16580767
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC NameN-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESO=C(CN1CCC(NC(=O)c2ccccc2)CC1)Nc1cccnc1Cl
InChIInChI=1S/C19H21ClN4O2/c20-18-16(7-4-10-21-18)23-17(25)13-24-11-8-15(9-12-24)22-19(26)14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2,(H,22,26)(H,23,25)
InChIKeyAZWXOFHRBUMJIO-UHFFFAOYSA-N
XLogP2.57
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-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

N-(2-chloro-3-pyridinyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968065
N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102987
N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide
CID 108520507
N-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
CID 34791543
N-(2-chloro-3-pyridinyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681343
N-(2-chloro-3-pyridinyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81490607
2-[4-(2-adamantyl)piperazin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 17276225
N-(2-chloro-3-pyridinyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 34932524
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
N-(2-chloro-3-pyridinyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide
CID 8710481
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
2-benzamido-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858991

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide (CID 16580767) is N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide is O=C(CN1CCC(NC(=O)c2ccccc2)CC1)Nc1cccnc1Cl.
What is the InChIKey of N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide?
The InChIKey is AZWXOFHRBUMJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-18-16(7-4-10-21-18)23-17(25)13-24-11-8-15(9-12-24)22-19(26)14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2,(H,22,26)(H,23,25).
What are the key properties of N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide?
N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide has a molecular weight of 372.86 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 16580767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).