(4-methylpiperidin-1-yl)-[6-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-pyridinyl]methanone

C19H26N6O — CID 75438045

IUPAC(4-methylpiperidin-1-yl)-[6-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2ccc(N3CCCC3c3nncn3C)nc2)CC1
InChIInChI=1S/C19H26N6O/c1-14-7-10-24(11-8-14)19(26)15-5-6-17(20-12-15)25-9-3-4-16(25)18-22-21-13-23(18)2/h5-6,12-14,16H,3-4,7-11H2,1-2H3
InChIKeyGLIVBFQFNSHUBO-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.42
Rot. Bonds3

About (4-methylpiperidin-1-yl)-[6-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-pyridinyl]methanone

(4-methylpiperidin-1-yl)-[6-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-pyridinyl]methanone (PubChem CID 75438045) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-pyridinyl]methanone
PubChem CID75438045
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name(4-methylpiperidin-1-yl)-[6-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2ccc(N3CCCC3c3nncn3C)nc2)CC1
InChIInChI=1S/C19H26N6O/c1-14-7-10-24(11-8-14)19(26)15-5-6-17(20-12-15)25-9-3-4-16(25)18-22-21-13-23(18)2/h5-6,12-14,16H,3-4,7-11H2,1-2H3
InChIKeyGLIVBFQFNSHUBO-UHFFFAOYSA-N
XLogP2.42
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methylpiperidin-1-yl)-[6-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 75396704
2-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-5-pyridin-4-ylpyridine
CID 154780856
(4-aminopiperidin-1-yl)-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 119374279
(6-chloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55209897
5-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 122106740
(2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 72885363
[6-[3-(2-hydroxyethoxy)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133315243
tert-butyl N-[2-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 133395610
methyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate
CID 133333967
[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 95207332
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
CID 118190444

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[6-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-pyridinyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-pyridinyl]methanone (CID 75438045) is (4-methylpiperidin-1-yl)-[6-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-pyridinyl]methanone is CC1CCN(C(=O)c2ccc(N3CCCC3c3nncn3C)nc2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-pyridinyl]methanone?
The InChIKey is GLIVBFQFNSHUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-14-7-10-24(11-8-14)19(26)15-5-6-17(20-12-15)25-9-3-4-16(25)18-22-21-13-23(18)2/h5-6,12-14,16H,3-4,7-11H2,1-2H3.
What are the key properties of (4-methylpiperidin-1-yl)-[6-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-pyridinyl]methanone?
(4-methylpiperidin-1-yl)-[6-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-pyridinyl]methanone has a molecular weight of 354.46 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-pyridinyl]methanone is sourced from PubChem (CID 75438045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).