3-[2-(cyclopropylmethyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]benzamide

C19H19N3O2 — CID 67269699

IUPAC3-[2-(cyclopropylmethyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]benzamide
SMILESCc1nc(-c2cccc(C(N)=O)c2)cc2c1C(=O)N(CC1CC1)C2
InChIInChI=1S/C19H19N3O2/c1-11-17-15(10-22(19(17)24)9-12-5-6-12)8-16(21-11)13-3-2-4-14(7-13)18(20)23/h2-4,7-8,12H,5-6,9-10H2,1H3,(H2,20,23)
InChIKeySFZXROIRGAFWPI-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.52
Rot. Bonds4

About 3-[2-(cyclopropylmethyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]benzamide

3-[2-(cyclopropylmethyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]benzamide (PubChem CID 67269699) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]benzamide.

Molecular Properties

Compound Name3-[2-(cyclopropylmethyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]benzamide
PubChem CID67269699
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-[2-(cyclopropylmethyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]benzamide
SMILESCc1nc(-c2cccc(C(N)=O)c2)cc2c1C(=O)N(CC1CC1)C2
InChIInChI=1S/C19H19N3O2/c1-11-17-15(10-22(19(17)24)9-12-5-6-12)8-16(21-11)13-3-2-4-14(7-13)18(20)23/h2-4,7-8,12H,5-6,9-10H2,1H3,(H2,20,23)
InChIKeySFZXROIRGAFWPI-UHFFFAOYSA-N
XLogP2.52
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]benzamide?
The IUPAC name of 3-[2-(cyclopropylmethyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]benzamide (CID 67269699) is 3-[2-(cyclopropylmethyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]benzamide.
What is the SMILES notation for 3-[2-(cyclopropylmethyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]benzamide?
The canonical SMILES for 3-[2-(cyclopropylmethyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]benzamide is Cc1nc(-c2cccc(C(N)=O)c2)cc2c1C(=O)N(CC1CC1)C2.
What is the InChIKey of 3-[2-(cyclopropylmethyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]benzamide?
The InChIKey is SFZXROIRGAFWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-11-17-15(10-22(19(17)24)9-12-5-6-12)8-16(21-11)13-3-2-4-14(7-13)18(20)23/h2-4,7-8,12H,5-6,9-10H2,1H3,(H2,20,23).
What are the key properties of 3-[2-(cyclopropylmethyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]benzamide?
3-[2-(cyclopropylmethyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]benzamide is sourced from PubChem (CID 67269699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).