2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-7-carboxamide

C22H32N4O5 — CID 166554045

IUPAC2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-7-carboxamide
SMILESCNC(=O)CNC(=O)C1CNCC2CN(C(=O)c3ccc(OC(C)C)c(OC)c3)CC21
InChIInChI=1S/C22H32N4O5/c1-13(2)31-18-6-5-14(7-19(18)30-4)22(29)26-11-15-8-24-9-16(17(15)12-26)21(28)25-10-20(27)23-3/h5-7,13,15-17,24H,8-12H2,1-4H3,(H,23,27)(H,25,28)
InChIKeyUPRDCZDVVHVNOD-UHFFFAOYSA-N
MW432.52 g/mol
LogP0.25
Rot. Bonds7

About 2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-7-carboxamide

2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-7-carboxamide (PubChem CID 166554045) has the molecular formula C22H32N4O5 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-7-carboxamide
PubChem CID166554045
Molecular FormulaC22H32N4O5
Molecular Weight432.52 g/mol
Exact Mass432.24
IUPAC Name2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-7-carboxamide
SMILESCNC(=O)CNC(=O)C1CNCC2CN(C(=O)c3ccc(OC(C)C)c(OC)c3)CC21
InChIInChI=1S/C22H32N4O5/c1-13(2)31-18-6-5-14(7-19(18)30-4)22(29)26-11-15-8-24-9-16(17(15)12-26)21(28)25-10-20(27)23-3/h5-7,13,15-17,24H,8-12H2,1-4H3,(H,23,27)(H,25,28)
InChIKeyUPRDCZDVVHVNOD-UHFFFAOYSA-N
XLogP0.25
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-7-carboxamide with MolForge

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Related Compounds

2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-5-(1-methylpyrrole-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide
CID 166553836
2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-5-(quinoline-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide
CID 166554215
2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-5-(quinoxaline-6-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;propylbenzene
CID 166554097
2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-5-(7-methyl-1H-indole-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;propylbenzene
CID 166553792
5-(5-fluoro-1H-indole-3-carbonyl)-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;propylbenzene
CID 166554224
5-[2-(4-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;propylbenzene
CID 166554418
5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;propylcyclohexane
CID 166553828
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone
CID 120657561
2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 120657442
5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;2-propylpyridine
CID 166554276
2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[(2S)-1-(methylamino)-1-oxo-5-phenylpentan-2-yl]-5-(2-phenylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide
CID 166554360
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 66212567

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-7-carboxamide?
The IUPAC name of 2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-7-carboxamide (CID 166554045) is 2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-7-carboxamide?
The canonical SMILES for 2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-7-carboxamide is CNC(=O)CNC(=O)C1CNCC2CN(C(=O)c3ccc(OC(C)C)c(OC)c3)CC21.
What is the InChIKey of 2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-7-carboxamide?
The InChIKey is UPRDCZDVVHVNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O5/c1-13(2)31-18-6-5-14(7-19(18)30-4)22(29)26-11-15-8-24-9-16(17(15)12-26)21(28)25-10-20(27)23-3/h5-7,13,15-17,24H,8-12H2,1-4H3,(H,23,27)(H,25,28).
What are the key properties of 2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-7-carboxamide?
2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-7-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-7-carboxamide is sourced from PubChem (CID 166554045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).