2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

C24H25N3O3 — CID 135116798

IUPAC2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESO=C(Cn1cc(C(=O)C2CC2)c2ccccc21)N[C@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C24H25N3O3/c28-23(26-21-15-30-14-18(21)11-16-7-9-25-10-8-16)13-27-12-20(24(29)17-5-6-17)19-3-1-2-4-22(19)27/h1-4,7-10,12,17-18,21H,5-6,11,13-15H2,(H,26,28)/t18-,21+/m1/s1
InChIKeyBVKVBNSQHDEPLC-NQIIRXRSSA-N
MW403.48 g/mol
LogP3.00
Rot. Bonds7

About 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide (PubChem CID 135116798) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
PubChem CID135116798
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESO=C(Cn1cc(C(=O)C2CC2)c2ccccc21)N[C@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C24H25N3O3/c28-23(26-21-15-30-14-18(21)11-16-7-9-25-10-8-16)13-27-12-20(24(29)17-5-6-17)19-3-1-2-4-22(19)27/h1-4,7-10,12,17-18,21H,5-6,11,13-15H2,(H,26,28)/t18-,21+/m1/s1
InChIKeyBVKVBNSQHDEPLC-NQIIRXRSSA-N
XLogP3.00
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The IUPAC name of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide (CID 135116798) is 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide is O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)N[C@H]1COC[C@H]1Cc1ccncc1.
What is the InChIKey of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The InChIKey is BVKVBNSQHDEPLC-NQIIRXRSSA-N. The full InChI is InChI=1S/C24H25N3O3/c28-23(26-21-15-30-14-18(21)11-16-7-9-25-10-8-16)13-27-12-20(24(29)17-5-6-17)19-3-1-2-4-22(19)27/h1-4,7-10,12,17-18,21H,5-6,11,13-15H2,(H,26,28)/t18-,21+/m1/s1.
What are the key properties of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide has a molecular weight of 403.48 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 135116798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).