2-chloro-4-nitro-N-(6-piperidin-1-yl-3-pyridinyl)benzamide

C17H17ClN4O3 — CID 51319265

IUPAC2-chloro-4-nitro-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)nc1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C17H17ClN4O3/c18-15-10-13(22(24)25)5-6-14(15)17(23)20-12-4-7-16(19-11-12)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,20,23)
InChIKeyHZFCYYNXOIHVHV-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.89
Rot. Bonds4

About 2-chloro-4-nitro-N-(6-piperidin-1-yl-3-pyridinyl)benzamide

2-chloro-4-nitro-N-(6-piperidin-1-yl-3-pyridinyl)benzamide (PubChem CID 51319265) has the molecular formula C17H17ClN4O3 and a molecular weight of 360.80 g/mol. Its IUPAC name is 2-chloro-4-nitro-N-(6-piperidin-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-nitro-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
PubChem CID51319265
Molecular FormulaC17H17ClN4O3
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC Name2-chloro-4-nitro-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)nc1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C17H17ClN4O3/c18-15-10-13(22(24)25)5-6-14(15)17(23)20-12-4-7-16(19-11-12)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,20,23)
InChIKeyHZFCYYNXOIHVHV-UHFFFAOYSA-N
XLogP3.89
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-4-nitrobenzamide
CID 121032316
2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
CID 26515816
2-chloro-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-nitrobenzamide
CID 122299952
2-(4-nitrophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 34080362
2-chloro-N-(5-chloro-2-piperidin-1-ylphenyl)-4-nitrobenzamide
CID 7922555
2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide
CID 5034506
2-chloro-N-[2-(dimethylamino)pyrimidin-5-yl]-4-nitrobenzamide
CID 122298152
3-methylsulfonyl-5-nitro-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 47883641
N-benzyl-5-[(2-chloro-4-nitrobenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 42756992
2-chloro-5-nitro-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 90544841
3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 38854366
2-chloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-4-nitrobenzamide
CID 2981763

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-nitro-N-(6-piperidin-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 2-chloro-4-nitro-N-(6-piperidin-1-yl-3-pyridinyl)benzamide (CID 51319265) is 2-chloro-4-nitro-N-(6-piperidin-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-4-nitro-N-(6-piperidin-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-4-nitro-N-(6-piperidin-1-yl-3-pyridinyl)benzamide is O=C(Nc1ccc(N2CCCCC2)nc1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-nitro-N-(6-piperidin-1-yl-3-pyridinyl)benzamide?
The InChIKey is HZFCYYNXOIHVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3/c18-15-10-13(22(24)25)5-6-14(15)17(23)20-12-4-7-16(19-11-12)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,20,23).
What are the key properties of 2-chloro-4-nitro-N-(6-piperidin-1-yl-3-pyridinyl)benzamide?
2-chloro-4-nitro-N-(6-piperidin-1-yl-3-pyridinyl)benzamide has a molecular weight of 360.80 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-nitro-N-(6-piperidin-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 51319265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).