(1-pyridin-3-ylazetidin-3-yl) 6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate

C19H23N5O2 — CID 137367799

IUPAC(1-pyridin-3-ylazetidin-3-yl) 6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate
SMILESCNc1nc(C)c(C)c2c1CN(C(=O)OC1CN(c3cccnc3)C1)C2
InChIInChI=1S/C19H23N5O2/c1-12-13(2)22-18(20-3)17-11-24(10-16(12)17)19(25)26-15-8-23(9-15)14-5-4-6-21-7-14/h4-7,15H,8-11H2,1-3H3,(H,20,22)
InChIKeyRLYJDRPFCCKBIB-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.48
Rot. Bonds3

About (1-pyridin-3-ylazetidin-3-yl) 6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate

(1-pyridin-3-ylazetidin-3-yl) 6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate (PubChem CID 137367799) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (1-pyridin-3-ylazetidin-3-yl) 6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate.

Molecular Properties

Compound Name(1-pyridin-3-ylazetidin-3-yl) 6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate
PubChem CID137367799
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(1-pyridin-3-ylazetidin-3-yl) 6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate
SMILESCNc1nc(C)c(C)c2c1CN(C(=O)OC1CN(c3cccnc3)C1)C2
InChIInChI=1S/C19H23N5O2/c1-12-13(2)22-18(20-3)17-11-24(10-16(12)17)19(25)26-15-8-23(9-15)14-5-4-6-21-7-14/h4-7,15H,8-11H2,1-3H3,(H,20,22)
InChIKeyRLYJDRPFCCKBIB-UHFFFAOYSA-N
XLogP2.48
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-pyridin-3-ylazetidin-3-yl) 6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate?
The IUPAC name of (1-pyridin-3-ylazetidin-3-yl) 6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate (CID 137367799) is (1-pyridin-3-ylazetidin-3-yl) 6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate.
What is the SMILES notation for (1-pyridin-3-ylazetidin-3-yl) 6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate?
The canonical SMILES for (1-pyridin-3-ylazetidin-3-yl) 6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate is CNc1nc(C)c(C)c2c1CN(C(=O)OC1CN(c3cccnc3)C1)C2.
What is the InChIKey of (1-pyridin-3-ylazetidin-3-yl) 6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate?
The InChIKey is RLYJDRPFCCKBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-13(2)22-18(20-3)17-11-24(10-16(12)17)19(25)26-15-8-23(9-15)14-5-4-6-21-7-14/h4-7,15H,8-11H2,1-3H3,(H,20,22).
What are the key properties of (1-pyridin-3-ylazetidin-3-yl) 6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate?
(1-pyridin-3-ylazetidin-3-yl) 6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate has a molecular weight of 353.43 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-3-ylazetidin-3-yl) 6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate is sourced from PubChem (CID 137367799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).