[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone

C19H24N4O2 — CID 175658969

IUPAC[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCC(c2cc(N(C)C)cc(C)n2)C1
InChIInChI=1S/C19H24N4O2/c1-13-10-15(22(2)3)11-17(21-13)14-7-9-23(12-14)19(24)16-6-5-8-20-18(16)25-4/h5-6,8,10-11,14H,7,9,12H2,1-4H3
InChIKeySJQBYPFAYFKKDH-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.49
Rot. Bonds4

About [3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone

[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 175658969) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
PubChem CID175658969
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCC(c2cc(N(C)C)cc(C)n2)C1
InChIInChI=1S/C19H24N4O2/c1-13-10-15(22(2)3)11-17(21-13)14-7-9-23(12-14)19(24)16-6-5-8-20-18(16)25-4/h5-6,8,10-11,14H,7,9,12H2,1-4H3
InChIKeySJQBYPFAYFKKDH-UHFFFAOYSA-N
XLogP2.49
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of [3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (CID 175658969) is [3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is COc1ncccc1C(=O)N1CCC(c2cc(N(C)C)cc(C)n2)C1.
What is the InChIKey of [3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is SJQBYPFAYFKKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-10-15(22(2)3)11-17(21-13)14-7-9-23(12-14)19(24)16-6-5-8-20-18(16)25-4/h5-6,8,10-11,14H,7,9,12H2,1-4H3.
What are the key properties of [3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 340.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 175658969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).