N-[(1S)-3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]propanamide

C26H34N4O2 — CID 69146427

IUPACN-[(1S)-3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]propanamide
SMILESCCC(=O)N[C@@H](CCN1CC2CN(C(=O)c3c(C)ccnc3C)CC2C1)c1ccccc1
InChIInChI=1S/C26H34N4O2/c1-4-24(31)28-23(20-8-6-5-7-9-20)11-13-29-14-21-16-30(17-22(21)15-29)26(32)25-18(2)10-12-27-19(25)3/h5-10,12,21-23H,4,11,13-17H2,1-3H3,(H,28,31)/t21?,22?,23-/m0/s1
InChIKeyJODAPEVKHDCBFA-VNXZQDSDSA-N
MW434.58 g/mol
LogP3.36
Rot. Bonds7

About N-[(1S)-3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]propanamide

N-[(1S)-3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]propanamide (PubChem CID 69146427) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[(1S)-3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]propanamide.

Molecular Properties

Compound NameN-[(1S)-3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]propanamide
PubChem CID69146427
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN-[(1S)-3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]propanamide
SMILESCCC(=O)N[C@@H](CCN1CC2CN(C(=O)c3c(C)ccnc3C)CC2C1)c1ccccc1
InChIInChI=1S/C26H34N4O2/c1-4-24(31)28-23(20-8-6-5-7-9-20)11-13-29-14-21-16-30(17-22(21)15-29)26(32)25-18(2)10-12-27-19(25)3/h5-10,12,21-23H,4,11,13-17H2,1-3H3,(H,28,31)/t21?,22?,23-/m0/s1
InChIKeyJODAPEVKHDCBFA-VNXZQDSDSA-N
XLogP3.36
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]propanamide?
The IUPAC name of N-[(1S)-3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]propanamide (CID 69146427) is N-[(1S)-3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]propanamide.
What is the SMILES notation for N-[(1S)-3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]propanamide?
The canonical SMILES for N-[(1S)-3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]propanamide is CCC(=O)N[C@@H](CCN1CC2CN(C(=O)c3c(C)ccnc3C)CC2C1)c1ccccc1.
What is the InChIKey of N-[(1S)-3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]propanamide?
The InChIKey is JODAPEVKHDCBFA-VNXZQDSDSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-4-24(31)28-23(20-8-6-5-7-9-20)11-13-29-14-21-16-30(17-22(21)15-29)26(32)25-18(2)10-12-27-19(25)3/h5-10,12,21-23H,4,11,13-17H2,1-3H3,(H,28,31)/t21?,22?,23-/m0/s1.
What are the key properties of N-[(1S)-3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]propanamide?
N-[(1S)-3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]propanamide has a molecular weight of 434.58 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]propanamide is sourced from PubChem (CID 69146427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).