2-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one

C23H24N4O4 — CID 136881639

IUPAC2-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one
SMILESCCOc1ccccc1C(=O)N1CCCC1c1nc(-c2cccnc2OC)cc(=O)[nH]1
InChIInChI=1S/C23H24N4O4/c1-3-31-19-11-5-4-8-16(19)23(29)27-13-7-10-18(27)21-25-17(14-20(28)26-21)15-9-6-12-24-22(15)30-2/h4-6,8-9,11-12,14,18H,3,7,10,13H2,1-2H3,(H,25,26,28)
InChIKeyCDPAIWNJCIXGNJ-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.22
Rot. Bonds6

About 2-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one

2-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 136881639) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one
PubChem CID136881639
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name2-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one
SMILESCCOc1ccccc1C(=O)N1CCCC1c1nc(-c2cccnc2OC)cc(=O)[nH]1
InChIInChI=1S/C23H24N4O4/c1-3-31-19-11-5-4-8-16(19)23(29)27-13-7-10-18(27)21-25-17(14-20(28)26-21)15-9-6-12-24-22(15)30-2/h4-6,8-9,11-12,14,18H,3,7,10,13H2,1-2H3,(H,25,26,28)
InChIKeyCDPAIWNJCIXGNJ-UHFFFAOYSA-N
XLogP3.22
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one (CID 136881639) is 2-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one is CCOc1ccccc1C(=O)N1CCCC1c1nc(-c2cccnc2OC)cc(=O)[nH]1.
What is the InChIKey of 2-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is CDPAIWNJCIXGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-3-31-19-11-5-4-8-16(19)23(29)27-13-7-10-18(27)21-25-17(14-20(28)26-21)15-9-6-12-24-22(15)30-2/h4-6,8-9,11-12,14,18H,3,7,10,13H2,1-2H3,(H,25,26,28).
What are the key properties of 2-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one?
2-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 420.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136881639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).