(1-methylpyrrol-2-yl)-[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone

C20H26N4O — CID 110107646

IUPAC(1-methylpyrrol-2-yl)-[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCCC1c1cccc(CN2CCCC2)n1
InChIInChI=1S/C20H26N4O/c1-22-11-5-10-19(22)20(25)24-14-6-9-18(24)17-8-4-7-16(21-17)15-23-12-2-3-13-23/h4-5,7-8,10-11,18H,2-3,6,9,12-15H2,1H3
InChIKeyWLHJZBQKJWEKTP-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.99
Rot. Bonds4

About (1-methylpyrrol-2-yl)-[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone

(1-methylpyrrol-2-yl)-[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 110107646) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID110107646
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name(1-methylpyrrol-2-yl)-[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCCC1c1cccc(CN2CCCC2)n1
InChIInChI=1S/C20H26N4O/c1-22-11-5-10-19(22)20(25)24-14-6-9-18(24)17-8-4-7-16(21-17)15-23-12-2-3-13-23/h4-5,7-8,10-11,18H,2-3,6,9,12-15H2,1H3
InChIKeyWLHJZBQKJWEKTP-UHFFFAOYSA-N
XLogP2.99
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylpyrrol-2-yl)-[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(1-methylpyrazol-3-yl)-[(2S)-2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124956644
[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 110107647
(1-methylpyrrol-2-yl)-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124952337
[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 127246960
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110113681
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95569418
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95283621
3-methoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 124978104
2-ethoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 125022977
(1-methylpyrrol-2-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768314
2-cyclopentyl-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124982918
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 127247295

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 110107646) is (1-methylpyrrol-2-yl)-[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone is Cn1cccc1C(=O)N1CCCC1c1cccc(CN2CCCC2)n1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is WLHJZBQKJWEKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-22-11-5-10-19(22)20(25)24-14-6-9-18(24)17-8-4-7-16(21-17)15-23-12-2-3-13-23/h4-5,7-8,10-11,18H,2-3,6,9,12-15H2,1H3.
What are the key properties of (1-methylpyrrol-2-yl)-[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
(1-methylpyrrol-2-yl)-[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110107646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).