(3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C20H23N5O — CID 97219868

IUPAC(3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)Cc3ccccn3)C2)n1
InChIInChI=1S/C20H23N5O/c1-15-8-9-16(12-21)19(23-15)25-11-5-6-17(13-25)20(26)24(2)14-18-7-3-4-10-22-18/h3-4,7-10,17H,5-6,11,13-14H2,1-2H3/t17-/m1/s1
InChIKeyUPZTYGMMDYKBSI-QGZVFWFLSA-N
MW349.44 g/mol
LogP2.53
Rot. Bonds4

About (3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

(3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 97219868) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID97219868
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)Cc3ccccn3)C2)n1
InChIInChI=1S/C20H23N5O/c1-15-8-9-16(12-21)19(23-15)25-11-5-6-17(13-25)20(26)24(2)14-18-7-3-4-10-22-18/h3-4,7-10,17H,5-6,11,13-14H2,1-2H3/t17-/m1/s1
InChIKeyUPZTYGMMDYKBSI-QGZVFWFLSA-N
XLogP2.53
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166602579
N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 63253194
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 45222783
pent-4-ynyl 1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 75375987
1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 154817860
1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431329
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
CID 171335548
2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 113343675
1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide
CID 171327976
6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile
CID 114237200
ethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate
CID 56882105
1-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 86824162

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 97219868) is (3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)Cc3ccccn3)C2)n1.
What is the InChIKey of (3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is UPZTYGMMDYKBSI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-8-9-16(12-21)19(23-15)25-11-5-6-17(13-25)20(26)24(2)14-18-7-3-4-10-22-18/h3-4,7-10,17H,5-6,11,13-14H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
(3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 97219868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).