(2-methylpyrrolidin-1-yl)-[4-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]methanone

C16H19N3O — CID 166828874

IUPAC(2-methylpyrrolidin-1-yl)-[4-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]methanone
SMILESCC1CCCN1C(=O)c1cc(Cc2ccncc2)c[nH]1
InChIInChI=1S/C16H19N3O/c1-12-3-2-8-19(12)16(20)15-10-14(11-18-15)9-13-4-6-17-7-5-13/h4-7,10-12,18H,2-3,8-9H2,1H3
InChIKeyWUKRDJOTKYRAGE-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.62
Rot. Bonds3

About (2-methylpyrrolidin-1-yl)-[4-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]methanone

(2-methylpyrrolidin-1-yl)-[4-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]methanone (PubChem CID 166828874) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (2-methylpyrrolidin-1-yl)-[4-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-1-yl)-[4-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]methanone
PubChem CID166828874
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(2-methylpyrrolidin-1-yl)-[4-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]methanone
SMILESCC1CCCN1C(=O)c1cc(Cc2ccncc2)c[nH]1
InChIInChI=1S/C16H19N3O/c1-12-3-2-8-19(12)16(20)15-10-14(11-18-15)9-13-4-6-17-7-5-13/h4-7,10-12,18H,2-3,8-9H2,1H3
InChIKeyWUKRDJOTKYRAGE-UHFFFAOYSA-N
XLogP2.62
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-1-yl)-[4-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]methanone?
The IUPAC name of (2-methylpyrrolidin-1-yl)-[4-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]methanone (CID 166828874) is (2-methylpyrrolidin-1-yl)-[4-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]methanone.
What is the SMILES notation for (2-methylpyrrolidin-1-yl)-[4-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]methanone?
The canonical SMILES for (2-methylpyrrolidin-1-yl)-[4-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]methanone is CC1CCCN1C(=O)c1cc(Cc2ccncc2)c[nH]1.
What is the InChIKey of (2-methylpyrrolidin-1-yl)-[4-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]methanone?
The InChIKey is WUKRDJOTKYRAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-3-2-8-19(12)16(20)15-10-14(11-18-15)9-13-4-6-17-7-5-13/h4-7,10-12,18H,2-3,8-9H2,1H3.
What are the key properties of (2-methylpyrrolidin-1-yl)-[4-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]methanone?
(2-methylpyrrolidin-1-yl)-[4-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]methanone has a molecular weight of 269.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-1-yl)-[4-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]methanone is sourced from PubChem (CID 166828874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).