6-chloropyridine-3-carbonitrile;N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]acetamide;N-piperidin-4-ylacetamide

C26H33ClN8O2 — CID 158084362

IUPAC6-chloropyridine-3-carbonitrile;N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]acetamide;N-piperidin-4-ylacetamide
SMILESCC(=O)NC1CCN(c2ccc(C#N)cn2)CC1.CC(=O)NC1CCNCC1.N#Cc1ccc(Cl)nc1
InChIInChI=1S/C13H16N4O.C7H14N2O.C6H3ClN2/c1-10(18)16-12-4-6-17(7-5-12)13-3-2-11(8-14)9-15-13;1-6(10)9-7-2-4-8-5-3-7;7-6-2-1-5(3-8)4-9-6/h2-3,9,12H,4-7H2,1H3,(H,16,18);7-8H,2-5H2,1H3,(H,9,10);1-2,4H
InChIKeyFNIHJCLYKHKYJT-UHFFFAOYSA-N
MW525.06 g/mol
LogP2.54
Rot. Bonds3

About 6-chloropyridine-3-carbonitrile;N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]acetamide;N-piperidin-4-ylacetamide

6-chloropyridine-3-carbonitrile;N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]acetamide;N-piperidin-4-ylacetamide (PubChem CID 158084362) has the molecular formula C26H33ClN8O2 and a molecular weight of 525.06 g/mol. Its IUPAC name is 6-chloropyridine-3-carbonitrile;N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]acetamide;N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name6-chloropyridine-3-carbonitrile;N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]acetamide;N-piperidin-4-ylacetamide
PubChem CID158084362
Molecular FormulaC26H33ClN8O2
Molecular Weight525.06 g/mol
Exact Mass524.24
IUPAC Name6-chloropyridine-3-carbonitrile;N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]acetamide;N-piperidin-4-ylacetamide
SMILESCC(=O)NC1CCN(c2ccc(C#N)cn2)CC1.CC(=O)NC1CCNCC1.N#Cc1ccc(Cl)nc1
InChIInChI=1S/C13H16N4O.C7H14N2O.C6H3ClN2/c1-10(18)16-12-4-6-17(7-5-12)13-3-2-11(8-14)9-15-13;1-6(10)9-7-2-4-8-5-3-7;7-6-2-1-5(3-8)4-9-6/h2-3,9,12H,4-7H2,1H3,(H,16,18);7-8H,2-5H2,1H3,(H,9,10);1-2,4H
InChIKeyFNIHJCLYKHKYJT-UHFFFAOYSA-N
XLogP2.54
TPSA146.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.06
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-chloropyridine-3-carbonitrile;N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]acetamide;N-piperidin-4-ylacetamide with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate
CID 50986487
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
CID 166298734
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile
CID 69354590
N-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]acetamide
CID 114766577
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
N-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide
CID 103469010
6-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171492679
6-[4-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133469882
4-(5-cyano-2-pyridinyl)-N-cyclopropylmorpholine-2-carboxamide
CID 155942289
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342

Frequently Asked Questions

What is the IUPAC name of 6-chloropyridine-3-carbonitrile;N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]acetamide;N-piperidin-4-ylacetamide?
The IUPAC name of 6-chloropyridine-3-carbonitrile;N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]acetamide;N-piperidin-4-ylacetamide (CID 158084362) is 6-chloropyridine-3-carbonitrile;N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]acetamide;N-piperidin-4-ylacetamide.
What is the SMILES notation for 6-chloropyridine-3-carbonitrile;N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]acetamide;N-piperidin-4-ylacetamide?
The canonical SMILES for 6-chloropyridine-3-carbonitrile;N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]acetamide;N-piperidin-4-ylacetamide is CC(=O)NC1CCN(c2ccc(C#N)cn2)CC1.CC(=O)NC1CCNCC1.N#Cc1ccc(Cl)nc1.
What is the InChIKey of 6-chloropyridine-3-carbonitrile;N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]acetamide;N-piperidin-4-ylacetamide?
The InChIKey is FNIHJCLYKHKYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.C7H14N2O.C6H3ClN2/c1-10(18)16-12-4-6-17(7-5-12)13-3-2-11(8-14)9-15-13;1-6(10)9-7-2-4-8-5-3-7;7-6-2-1-5(3-8)4-9-6/h2-3,9,12H,4-7H2,1H3,(H,16,18);7-8H,2-5H2,1H3,(H,9,10);1-2,4H.
What are the key properties of 6-chloropyridine-3-carbonitrile;N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]acetamide;N-piperidin-4-ylacetamide?
6-chloropyridine-3-carbonitrile;N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]acetamide;N-piperidin-4-ylacetamide has a molecular weight of 525.06 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyridine-3-carbonitrile;N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]acetamide;N-piperidin-4-ylacetamide is sourced from PubChem (CID 158084362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).