4-methyl-1-[(4-methyl-6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carboxylic acid

C18H23N3O2 — CID 142463622

IUPAC4-methyl-1-[(4-methyl-6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carboxylic acid
SMILESCc1cc(Cn2cc(C)cc2C(=O)O)nc(N2CCCCC2)c1
InChIInChI=1S/C18H23N3O2/c1-13-8-15(12-21-11-14(2)9-16(21)18(22)23)19-17(10-13)20-6-4-3-5-7-20/h8-11H,3-7,12H2,1-2H3,(H,22,23)
InChIKeySQIJMCUQXXLURR-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.24
Rot. Bonds4

About 4-methyl-1-[(4-methyl-6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carboxylic acid

4-methyl-1-[(4-methyl-6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carboxylic acid (PubChem CID 142463622) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-methyl-1-[(4-methyl-6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(4-methyl-6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carboxylic acid
PubChem CID142463622
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-methyl-1-[(4-methyl-6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carboxylic acid
SMILESCc1cc(Cn2cc(C)cc2C(=O)O)nc(N2CCCCC2)c1
InChIInChI=1S/C18H23N3O2/c1-13-8-15(12-21-11-14(2)9-16(21)18(22)23)19-17(10-13)20-6-4-3-5-7-20/h8-11H,3-7,12H2,1-2H3,(H,22,23)
InChIKeySQIJMCUQXXLURR-UHFFFAOYSA-N
XLogP3.24
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-[(4-methyl-6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[[4-methyl-1-[(4-methyl-6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carbonyl]amino]benzoic acid
CID 142463655
4-iodoaniline;N-(4-iodophenyl)-4-methyl-1-[(6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carboxamide;4-methyl-1-[(6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carboxylic acid
CID 160573494
4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxylic acid
CID 142463610
4-[[4-methyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carbonyl]amino]benzoic acid
CID 142463555
methyl 4-[[4-methyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carbonyl]amino]benzoate;4-[[4-methyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carbonyl]amino]benzoic acid
CID 160950755
1-(azepan-1-yl)-2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154829879
N,4-dimethylaniline;4-methyl-1-[(6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carbaldehyde
CID 142463560
6-(azepan-1-yl)-2-methylpyridine-3-carboxylic acid
CID 79886015
[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363677
N-(1H-indazol-5-yl)-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide
CID 146501169
4-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyridine
CID 156652207
5-methyl-2-piperidin-1-ylbenzene-1,3-dicarboxylic acid
CID 174667046

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(4-methyl-6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[(4-methyl-6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carboxylic acid (CID 142463622) is 4-methyl-1-[(4-methyl-6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(4-methyl-6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(4-methyl-6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carboxylic acid is Cc1cc(Cn2cc(C)cc2C(=O)O)nc(N2CCCCC2)c1.
What is the InChIKey of 4-methyl-1-[(4-methyl-6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carboxylic acid?
The InChIKey is SQIJMCUQXXLURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-8-15(12-21-11-14(2)9-16(21)18(22)23)19-17(10-13)20-6-4-3-5-7-20/h8-11H,3-7,12H2,1-2H3,(H,22,23).
What are the key properties of 4-methyl-1-[(4-methyl-6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carboxylic acid?
4-methyl-1-[(4-methyl-6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carboxylic acid has a molecular weight of 313.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(4-methyl-6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 142463622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).