N-[[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]benzamide

C18H19ClN4O3 — CID 133342411

IUPACN-[[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]benzamide
SMILESO=C(NCC1CCCCN1c1ncc([N+](=O)[O-])cc1Cl)c1ccccc1
InChIInChI=1S/C18H19ClN4O3/c19-16-10-15(23(25)26)12-20-17(16)22-9-5-4-8-14(22)11-21-18(24)13-6-2-1-3-7-13/h1-3,6-7,10,12,14H,4-5,8-9,11H2,(H,21,24)
InChIKeyDNUTVXKJJJAHDY-UHFFFAOYSA-N
MW374.83 g/mol
LogP3.43
Rot. Bonds5

About N-[[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]benzamide

N-[[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]benzamide (PubChem CID 133342411) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is N-[[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]benzamide
PubChem CID133342411
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC NameN-[[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]benzamide
SMILESO=C(NCC1CCCCN1c1ncc([N+](=O)[O-])cc1Cl)c1ccccc1
InChIInChI=1S/C18H19ClN4O3/c19-16-10-15(23(25)26)12-20-17(16)22-9-5-4-8-14(22)11-21-18(24)13-6-2-1-3-7-13/h1-3,6-7,10,12,14H,4-5,8-9,11H2,(H,21,24)
InChIKeyDNUTVXKJJJAHDY-UHFFFAOYSA-N
XLogP3.43
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 53.43
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

methyl 2-[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-2-yl]acetate
CID 103867369
3-chloro-2-[2-(methylsulfanylmethyl)pyrrolidin-1-yl]-5-nitropyridine
CID 133377369
[(2S)-1-(5-chloro-3-nitro-2-pyridinyl)piperidin-2-yl]methylurea
CID 97101938
1-[[1-(5-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea
CID 133397048
5-[2-(benzamidomethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120690266
[1-(3-bromo-5-nitro-2-pyridinyl)piperidin-2-yl]methanol
CID 79523718
N-[[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methyl]benzamide
CID 133403725
5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid
CID 104690120
3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine
CID 133304580
tert-butyl N-[[(2S)-1-(5-nitro-2-pyridinyl)piperidin-2-yl]methyl]carbamate
CID 97174193
1-(3-methyl-5-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 62477365
1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea
CID 133396975

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]benzamide?
The IUPAC name of N-[[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]benzamide (CID 133342411) is N-[[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]benzamide?
The canonical SMILES for N-[[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]benzamide is O=C(NCC1CCCCN1c1ncc([N+](=O)[O-])cc1Cl)c1ccccc1.
What is the InChIKey of N-[[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]benzamide?
The InChIKey is DNUTVXKJJJAHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c19-16-10-15(23(25)26)12-20-17(16)22-9-5-4-8-14(22)11-21-18(24)13-6-2-1-3-7-13/h1-3,6-7,10,12,14H,4-5,8-9,11H2,(H,21,24).
What are the key properties of N-[[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]benzamide?
N-[[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]benzamide has a molecular weight of 374.83 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]benzamide is sourced from PubChem (CID 133342411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).