(2R)-N-cyclopropyl-N-[(1R)-1-[1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide

C23H33N3O3 — CID 160701911

IUPAC(2R)-N-cyclopropyl-N-[(1R)-1-[1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide
SMILESCOCCCCn1cc([C@@H](C)N(C(=O)[C@H]2CCCCO2)C2CC2)c2ncccc21
InChIInChI=1S/C23H33N3O3/c1-17(26(18-10-11-18)23(27)21-9-3-5-15-29-21)19-16-25(13-4-6-14-28-2)20-8-7-12-24-22(19)20/h7-8,12,16-18,21H,3-6,9-11,13-15H2,1-2H3/t17-,21-/m1/s1
InChIKeyRQSNWGFRNZMTCR-DYESRHJHSA-N
MW399.54 g/mol
LogP4.08
Rot. Bonds9

About (2R)-N-cyclopropyl-N-[(1R)-1-[1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide

(2R)-N-cyclopropyl-N-[(1R)-1-[1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide (PubChem CID 160701911) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[(1R)-1-[1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[(1R)-1-[1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide
PubChem CID160701911
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name(2R)-N-cyclopropyl-N-[(1R)-1-[1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide
SMILESCOCCCCn1cc([C@@H](C)N(C(=O)[C@H]2CCCCO2)C2CC2)c2ncccc21
InChIInChI=1S/C23H33N3O3/c1-17(26(18-10-11-18)23(27)21-9-3-5-15-29-21)19-16-25(13-4-6-14-28-2)20-8-7-12-24-22(19)20/h7-8,12,16-18,21H,3-6,9-11,13-15H2,1-2H3/t17-,21-/m1/s1
InChIKeyRQSNWGFRNZMTCR-DYESRHJHSA-N
XLogP4.08
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-cyclopropyl-N-[(1S)-1-[7-methoxy-1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide
CID 146865417
(2R)-N-cyclopropyl-N-[(1S)-1-[1-(4-methoxybutyl)-7-methylindazol-3-yl]ethyl]oxane-2-carboxamide
CID 158609979
(2R)-N-[(1R)-1-[1,3-bis(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
CID 90065180
(2R)-N-cyclopropyl-N-[(1R)-1-[3-cyclopropyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide
CID 90065183
N-cyclopropyl-N-[1-[1-(3-methoxypropyl)-3,4-dimethylpyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide
CID 118910663
(2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]morpholine-2-carboxamide
CID 90065226
(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylpyrrolo[2,3-b]pyridin-6-yl]ethyl]morpholine-2-carboxamide
CID 118313069
methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]-5-(2-phenylpropan-2-yl)pyrazol-1-yl]propyl]carbamate
CID 147403284
methyl N-[3-[1-cyclohexyl-3-[(1R)-1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]pyrazol-5-yl]propyl]carbamate
CID 160884849
(2R,5S)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-1-(3-methoxypropyl)imidazo[4,5-c]pyridin-6-yl]ethyl]-5-methylmorpholine-2-carboxamide
CID 118313887
N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide
CID 140718628
[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-[2-(2-methoxyethoxy)-3-pyridinyl]methanone
CID 95271459

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide (CID 160701911) is (2R)-N-cyclopropyl-N-[(1R)-1-[1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[(1R)-1-[1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[(1R)-1-[1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide is COCCCCn1cc([C@@H](C)N(C(=O)[C@H]2CCCCO2)C2CC2)c2ncccc21.
What is the InChIKey of (2R)-N-cyclopropyl-N-[(1R)-1-[1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide?
The InChIKey is RQSNWGFRNZMTCR-DYESRHJHSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-17(26(18-10-11-18)23(27)21-9-3-5-15-29-21)19-16-25(13-4-6-14-28-2)20-8-7-12-24-22(19)20/h7-8,12,16-18,21H,3-6,9-11,13-15H2,1-2H3/t17-,21-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[(1R)-1-[1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide?
(2R)-N-cyclopropyl-N-[(1R)-1-[1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-N-[(1R)-1-[1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide is sourced from PubChem (CID 160701911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).