2-[4-[(6-chloro-4-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide

C12H16ClN5O3 — CID 103888341

IUPAC2-[4-[(6-chloro-4-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2cc([N+](=O)[O-])cc(Cl)n2)CC1
InChIInChI=1S/C12H16ClN5O3/c13-10-5-9(18(20)21)6-12(16-10)15-8-1-3-17(4-2-8)7-11(14)19/h5-6,8H,1-4,7H2,(H2,14,19)(H,15,16)
InChIKeyPLAYEBCUQSMFOP-UHFFFAOYSA-N
MW313.75 g/mol
LogP1.00
Rot. Bonds5

About 2-[4-[(6-chloro-4-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide

2-[4-[(6-chloro-4-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide (PubChem CID 103888341) has the molecular formula C12H16ClN5O3 and a molecular weight of 313.75 g/mol. Its IUPAC name is 2-[4-[(6-chloro-4-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(6-chloro-4-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
PubChem CID103888341
Molecular FormulaC12H16ClN5O3
Molecular Weight313.75 g/mol
Exact Mass313.09
IUPAC Name2-[4-[(6-chloro-4-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2cc([N+](=O)[O-])cc(Cl)n2)CC1
InChIInChI=1S/C12H16ClN5O3/c13-10-5-9(18(20)21)6-12(16-10)15-8-1-3-17(4-2-8)7-11(14)19/h5-6,8H,1-4,7H2,(H2,14,19)(H,15,16)
InChIKeyPLAYEBCUQSMFOP-UHFFFAOYSA-N
XLogP1.00
TPSA114.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 106193246
2-[4-[(6-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 79825671
6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine
CID 114101548
N-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 32884003
6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine
CID 104695824
2-[4-[(6-bromo-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 114156475
2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 54895410
2-[4-[(5-fluoro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 61311404
6-chloro-N-(3-ethylsulfanylcyclopentyl)-4-nitropyridin-2-amine
CID 103888843
2-[4-[(4-cyano-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 60726886
2-[4-[(5-aminopyrazin-2-yl)amino]piperidin-1-yl]acetamide
CID 80652731
2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 103886515

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-chloro-4-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(6-chloro-4-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide (CID 103888341) is 2-[4-[(6-chloro-4-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(6-chloro-4-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(6-chloro-4-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(Nc2cc([N+](=O)[O-])cc(Cl)n2)CC1.
What is the InChIKey of 2-[4-[(6-chloro-4-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide?
The InChIKey is PLAYEBCUQSMFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O3/c13-10-5-9(18(20)21)6-12(16-10)15-8-1-3-17(4-2-8)7-11(14)19/h5-6,8H,1-4,7H2,(H2,14,19)(H,15,16).
What are the key properties of 2-[4-[(6-chloro-4-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide?
2-[4-[(6-chloro-4-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide has a molecular weight of 313.75 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-chloro-4-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 103888341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).