(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)pyrrolo[3,2-b]pyridin-3-yl]methyl]morpholine-2-carboxamide

C20H28N4O3 — CID 59494444

IUPAC(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)pyrrolo[3,2-b]pyridin-3-yl]methyl]morpholine-2-carboxamide
SMILESCOCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2ncccc21
InChIInChI=1S/C20H28N4O3/c1-26-10-3-9-23-13-15(19-17(23)4-2-7-22-19)14-24(16-5-6-16)20(25)18-12-21-8-11-27-18/h2,4,7,13,16,18,21H,3,5-6,8-12,14H2,1H3/t18-/m1/s1
InChIKeyWFDUZHSVPNCEPO-GOSISDBHSA-N
MW372.47 g/mol
LogP1.55
Rot. Bonds8

About (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)pyrrolo[3,2-b]pyridin-3-yl]methyl]morpholine-2-carboxamide

(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)pyrrolo[3,2-b]pyridin-3-yl]methyl]morpholine-2-carboxamide (PubChem CID 59494444) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)pyrrolo[3,2-b]pyridin-3-yl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)pyrrolo[3,2-b]pyridin-3-yl]methyl]morpholine-2-carboxamide
PubChem CID59494444
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)pyrrolo[3,2-b]pyridin-3-yl]methyl]morpholine-2-carboxamide
SMILESCOCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2ncccc21
InChIInChI=1S/C20H28N4O3/c1-26-10-3-9-23-13-15(19-17(23)4-2-7-22-19)14-24(16-5-6-16)20(25)18-12-21-8-11-27-18/h2,4,7,13,16,18,21H,3,5-6,8-12,14H2,1H3/t18-/m1/s1
InChIKeyWFDUZHSVPNCEPO-GOSISDBHSA-N
XLogP1.55
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)pyrrolo[3,2-b]pyridin-3-yl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)pyrrolo[3,2-b]pyridin-3-yl]methyl]morpholine-2-carboxamide (CID 59494444) is (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)pyrrolo[3,2-b]pyridin-3-yl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)pyrrolo[3,2-b]pyridin-3-yl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)pyrrolo[3,2-b]pyridin-3-yl]methyl]morpholine-2-carboxamide is COCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2ncccc21.
What is the InChIKey of (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)pyrrolo[3,2-b]pyridin-3-yl]methyl]morpholine-2-carboxamide?
The InChIKey is WFDUZHSVPNCEPO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-26-10-3-9-23-13-15(19-17(23)4-2-7-22-19)14-24(16-5-6-16)20(25)18-12-21-8-11-27-18/h2,4,7,13,16,18,21H,3,5-6,8-12,14H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)pyrrolo[3,2-b]pyridin-3-yl]methyl]morpholine-2-carboxamide?
(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)pyrrolo[3,2-b]pyridin-3-yl]methyl]morpholine-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)pyrrolo[3,2-b]pyridin-3-yl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 59494444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).