N-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide

C13H15ClN4O — CID 107058314

IUPACN-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nccc(C#N)c2Cl)CC1
InChIInChI=1S/C13H15ClN4O/c1-9(19)17-11-3-6-18(7-4-11)13-12(14)10(8-15)2-5-16-13/h2,5,11H,3-4,6-7H2,1H3,(H,17,19)
InChIKeyVWASSRCBPILXHQ-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.71
Rot. Bonds2

About N-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide

N-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide (PubChem CID 107058314) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is N-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide
PubChem CID107058314
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC NameN-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nccc(C#N)c2Cl)CC1
InChIInChI=1S/C13H15ClN4O/c1-9(19)17-11-3-6-18(7-4-11)13-12(14)10(8-15)2-5-16-13/h2,5,11H,3-4,6-7H2,1H3,(H,17,19)
InChIKeyVWASSRCBPILXHQ-UHFFFAOYSA-N
XLogP1.71
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile
CID 107057012
3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 107057088
3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile
CID 107059231
3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 107058347
3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile
CID 107057553
N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide
CID 49430968
N-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-4-yl]acetamide
CID 146106896
N-[1-(4-chloro-2-cyanophenyl)pyrrolidin-3-yl]acetamide
CID 113402290
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
CID 107061360
1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 107057278
2-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 107056581
N-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide
CID 103469010

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide (CID 107058314) is N-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2nccc(C#N)c2Cl)CC1.
What is the InChIKey of N-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide?
The InChIKey is VWASSRCBPILXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-9(19)17-11-3-6-18(7-4-11)13-12(14)10(8-15)2-5-16-13/h2,5,11H,3-4,6-7H2,1H3,(H,17,19).
What are the key properties of N-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide?
N-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide has a molecular weight of 278.74 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 107058314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).