[3-(cyclopropylmethoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone

C19H24N4O3 — CID 156611367

IUPAC[3-(cyclopropylmethoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CC(COCC3CC3)C(c3nc(C)no3)C2)cn1
InChIInChI=1S/C19H24N4O3/c1-12-3-6-15(7-20-12)19(24)23-8-16(11-25-10-14-4-5-14)17(9-23)18-21-13(2)22-26-18/h3,6-7,14,16-17H,4-5,8-11H2,1-2H3
InChIKeyMGEVPRGHYOQOJX-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.36
Rot. Bonds6

About [3-(cyclopropylmethoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone

[3-(cyclopropylmethoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 156611367) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is [3-(cyclopropylmethoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID156611367
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name[3-(cyclopropylmethoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CC(COCC3CC3)C(c3nc(C)no3)C2)cn1
InChIInChI=1S/C19H24N4O3/c1-12-3-6-15(7-20-12)19(24)23-8-16(11-25-10-14-4-5-14)17(9-23)18-21-13(2)22-26-18/h3,6-7,14,16-17H,4-5,8-11H2,1-2H3
InChIKeyMGEVPRGHYOQOJX-UHFFFAOYSA-N
XLogP2.36
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [3-(cyclopropylmethoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 156611367) is [3-(cyclopropylmethoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [3-(cyclopropylmethoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [3-(cyclopropylmethoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CC(COCC3CC3)C(c3nc(C)no3)C2)cn1.
What is the InChIKey of [3-(cyclopropylmethoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is MGEVPRGHYOQOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12-3-6-15(7-20-12)19(24)23-8-16(11-25-10-14-4-5-14)17(9-23)18-21-13(2)22-26-18/h3,6-7,14,16-17H,4-5,8-11H2,1-2H3.
What are the key properties of [3-(cyclopropylmethoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
[3-(cyclopropylmethoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 356.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 156611367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).