6-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-2-carbonitrile

C19H25N7 — CID 95880634

IUPAC6-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCn1c(CN2CCCC2)nnc1[C@@H]1CCCN(c2cccc(C#N)n2)C1
InChIInChI=1S/C19H25N7/c1-24-18(14-25-9-2-3-10-25)22-23-19(24)15-6-5-11-26(13-15)17-8-4-7-16(12-20)21-17/h4,7-8,15H,2-3,5-6,9-11,13-14H2,1H3/t15-/m1/s1
InChIKeyNCWUOPPTURVOMV-OAHLLOKOSA-N
MW351.46 g/mol
LogP2.06
Rot. Bonds4

About 6-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-2-carbonitrile

6-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 95880634) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 6-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID95880634
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name6-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCn1c(CN2CCCC2)nnc1[C@@H]1CCCN(c2cccc(C#N)n2)C1
InChIInChI=1S/C19H25N7/c1-24-18(14-25-9-2-3-10-25)22-23-19(24)15-6-5-11-26(13-15)17-8-4-7-16(12-20)21-17/h4,7-8,15H,2-3,5-6,9-11,13-14H2,1H3/t15-/m1/s1
InChIKeyNCWUOPPTURVOMV-OAHLLOKOSA-N
XLogP2.06
TPSA73.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-2-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 95874854
2-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 70756476
5-fluoro-2-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 95873641
6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 97207615
4-ethyl-6-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 70724784
3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-phenylethyl)piperidine
CID 70727688
1-ethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 70786765
2-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 95895687
4-[[4-methyl-5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 95896019
2-methyl-3-[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
CID 95868132
2,4,5-trimethyl-6-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 95868121
(3R)-1-[(3-fluorophenyl)methyl]-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 95895747

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-2-carbonitrile (CID 95880634) is 6-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-2-carbonitrile is Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(c2cccc(C#N)n2)C1.
What is the InChIKey of 6-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is NCWUOPPTURVOMV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N7/c1-24-18(14-25-9-2-3-10-25)22-23-19(24)15-6-5-11-26(13-15)17-8-4-7-16(12-20)21-17/h4,7-8,15H,2-3,5-6,9-11,13-14H2,1H3/t15-/m1/s1.
What are the key properties of 6-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-2-carbonitrile?
6-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 351.46 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 95880634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).