N-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide

C21H23N5O4 — CID 167142515

IUPACN-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide
SMILESN#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)CNC(=O)c1cc2c3c(ccc2[nH]1)CCO3
InChIInChI=1S/C21H23N5O4/c22-10-14(8-13-2-1-6-23-20(13)28)25-18(27)11-24-21(29)17-9-15-16(26-17)4-3-12-5-7-30-19(12)15/h3-4,9,13-14,26H,1-2,5-8,11H2,(H,23,28)(H,24,29)(H,25,27)/t13-,14-/m0/s1
InChIKeyQPUCQTYPJQBYCQ-KBPBESRZSA-N
MW409.45 g/mol
LogP0.76
Rot. Bonds6

About N-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide

N-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide (PubChem CID 167142515) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide
PubChem CID167142515
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC NameN-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide
SMILESN#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)CNC(=O)c1cc2c3c(ccc2[nH]1)CCO3
InChIInChI=1S/C21H23N5O4/c22-10-14(8-13-2-1-6-23-20(13)28)25-18(27)11-24-21(29)17-9-15-16(26-17)4-3-12-5-7-30-19(12)15/h3-4,9,13-14,26H,1-2,5-8,11H2,(H,23,28)(H,24,29)(H,25,27)/t13-,14-/m0/s1
InChIKeyQPUCQTYPJQBYCQ-KBPBESRZSA-N
XLogP0.76
TPSA136.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide with MolForge

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Related Compounds

7-chloro-N-[2-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane
CID 167504271
N-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-4-methoxy-1-benzofuran-2-carboxamide
CID 164544107
N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonylamino)acetamide
CID 164544263
N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 166505926
ethane;4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]ethyl]-1H-indole-2-carboxamide;2-methylpropane
CID 164544338
[(3S)-3-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-[(3S)-2-oxopiperidin-3-yl]butyl] benzoate
CID 164544451
4,6-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 162479128
N-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-5-hydroxypentanamide;2-methylpropane;molecular hydrogen
CID 164544281
N-[2-[[4-chloro-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
CID 156882320
N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-(2,2-difluoro-1-methylcyclopropyl)-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 163688655
N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonylamino)acetamide;2-methylpropane;molecular hydrogen
CID 164544262
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 166156948

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide?
The IUPAC name of N-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide (CID 167142515) is N-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide.
What is the SMILES notation for N-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide?
The canonical SMILES for N-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide is N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)CNC(=O)c1cc2c3c(ccc2[nH]1)CCO3.
What is the InChIKey of N-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide?
The InChIKey is QPUCQTYPJQBYCQ-KBPBESRZSA-N. The full InChI is InChI=1S/C21H23N5O4/c22-10-14(8-13-2-1-6-23-20(13)28)25-18(27)11-24-21(29)17-9-15-16(26-17)4-3-12-5-7-30-19(12)15/h3-4,9,13-14,26H,1-2,5-8,11H2,(H,23,28)(H,24,29)(H,25,27)/t13-,14-/m0/s1.
What are the key properties of N-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide?
N-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 0.76, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide is sourced from PubChem (CID 167142515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).