N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide

C15H21N5O — CID 63253194

IUPACN-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(C#N)c(N2CCCC(C(=O)NCCN)C2)n1
InChIInChI=1S/C15H21N5O/c1-11-4-5-12(9-17)14(19-11)20-8-2-3-13(10-20)15(21)18-7-6-16/h4-5,13H,2-3,6-8,10,16H2,1H3,(H,18,21)
InChIKeyPCLJKYICNVGCPA-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.55
Rot. Bonds4

About N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 63253194) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID63253194
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(C#N)c(N2CCCC(C(=O)NCCN)C2)n1
InChIInChI=1S/C15H21N5O/c1-11-4-5-12(9-17)14(19-11)20-8-2-3-13(10-20)15(21)18-7-6-16/h4-5,13H,2-3,6-8,10,16H2,1H3,(H,18,21)
InChIKeyPCLJKYICNVGCPA-UHFFFAOYSA-N
XLogP0.55
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431329
pent-4-ynyl 1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 75375987
1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide
CID 171327976
N-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166602579
2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 113343675
N-(2-aminoethyl)-1-(3-bromo-5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 105367314
ethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate
CID 56882105
(3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 97219868
1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide
CID 133286024
N-(2-aminoethyl)-1-(4-chloro-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 83156646
N-(2-aminoethyl)-1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-3-carboxamide
CID 66333680
6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 115300809

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 63253194) is N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1ccc(C#N)c(N2CCCC(C(=O)NCCN)C2)n1.
What is the InChIKey of N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is PCLJKYICNVGCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-4-5-12(9-17)14(19-11)20-8-2-3-13(10-20)15(21)18-7-6-16/h4-5,13H,2-3,6-8,10,16H2,1H3,(H,18,21).
What are the key properties of N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 63253194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).