6-[2-[cyclopentyl(methyl)amino]pyridine-4-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

C19H23N5O2 — CID 155953799

IUPAC6-[2-[cyclopentyl(methyl)amino]pyridine-4-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)c1ccnc(N(C)C3CCCC3)c1)C2
InChIInChI=1S/C19H23N5O2/c1-12-21-16-11-24(10-15(16)18(25)22-12)19(26)13-7-8-20-17(9-13)23(2)14-5-3-4-6-14/h7-9,14H,3-6,10-11H2,1-2H3,(H,21,22,25)
InChIKeyUIOGFVWKLIYXLK-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.01
Rot. Bonds3

About 6-[2-[cyclopentyl(methyl)amino]pyridine-4-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

6-[2-[cyclopentyl(methyl)amino]pyridine-4-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 155953799) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-[2-[cyclopentyl(methyl)amino]pyridine-4-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-[cyclopentyl(methyl)amino]pyridine-4-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID155953799
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name6-[2-[cyclopentyl(methyl)amino]pyridine-4-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)c1ccnc(N(C)C3CCCC3)c1)C2
InChIInChI=1S/C19H23N5O2/c1-12-21-16-11-24(10-15(16)18(25)22-12)19(26)13-7-8-20-17(9-13)23(2)14-5-3-4-6-14/h7-9,14H,3-6,10-11H2,1-2H3,(H,21,22,25)
InChIKeyUIOGFVWKLIYXLK-UHFFFAOYSA-N
XLogP2.01
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[cyclopentyl(methyl)amino]pyridine-4-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-[2-[cyclopentyl(methyl)amino]pyridine-4-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (CID 155953799) is 6-[2-[cyclopentyl(methyl)amino]pyridine-4-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-[cyclopentyl(methyl)amino]pyridine-4-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-[cyclopentyl(methyl)amino]pyridine-4-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1ccnc(N(C)C3CCCC3)c1)C2.
What is the InChIKey of 6-[2-[cyclopentyl(methyl)amino]pyridine-4-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is UIOGFVWKLIYXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-21-16-11-24(10-15(16)18(25)22-12)19(26)13-7-8-20-17(9-13)23(2)14-5-3-4-6-14/h7-9,14H,3-6,10-11H2,1-2H3,(H,21,22,25).
What are the key properties of 6-[2-[cyclopentyl(methyl)amino]pyridine-4-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
6-[2-[cyclopentyl(methyl)amino]pyridine-4-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 353.43 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[cyclopentyl(methyl)amino]pyridine-4-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 155953799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).