2-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide

C12H16ClN5O3 — CID 106193246

IUPAC2-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2nc(Cl)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H16ClN5O3/c13-10-2-1-9(18(20)21)12(16-10)15-8-3-5-17(6-4-8)7-11(14)19/h1-2,8H,3-7H2,(H2,14,19)(H,15,16)
InChIKeyNMKAUBBGHOYPHZ-UHFFFAOYSA-N
MW313.75 g/mol
LogP1.00
Rot. Bonds5

About 2-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide

2-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide (PubChem CID 106193246) has the molecular formula C12H16ClN5O3 and a molecular weight of 313.75 g/mol. Its IUPAC name is 2-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
PubChem CID106193246
Molecular FormulaC12H16ClN5O3
Molecular Weight313.75 g/mol
Exact Mass313.09
IUPAC Name2-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2nc(Cl)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H16ClN5O3/c13-10-2-1-9(18(20)21)12(16-10)15-8-3-5-17(6-4-8)7-11(14)19/h1-2,8H,3-7H2,(H2,14,19)(H,15,16)
InChIKeyNMKAUBBGHOYPHZ-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-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 79825671
2-[4-[(6-chloro-4-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 103888341
6-chloro-N-cyclohexyl-3-nitropyridin-2-amine
CID 43152693
2-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]cyclohexyl]acetonitrile
CID 163206956
2-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 106193249
2-[4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 106193237
5-[(6-chloro-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 64669439
2-[(6-chloro-3-nitro-2-pyridinyl)amino]cycloheptan-1-ol
CID 113394870
3-[(6-chloro-3-nitro-2-pyridinyl)amino]-N-cyclopropylpropanamide
CID 79401201
3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106178690
2-[4-[(3-chloro-4-pyridinyl)amino]piperidin-1-yl]acetamide
CID 79840057
2-[4-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 71980314

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide (CID 106193246) is 2-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(Nc2nc(Cl)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of 2-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide?
The InChIKey is NMKAUBBGHOYPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O3/c13-10-2-1-9(18(20)21)12(16-10)15-8-3-5-17(6-4-8)7-11(14)19/h1-2,8H,3-7H2,(H2,14,19)(H,15,16).
What are the key properties of 2-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide?
2-[4-[(6-chloro-3-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-3-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 106193246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).