1-oxo-N-pyridin-3-ylspiro[3,5-dihydro-2H-[1,4]diazepino[1,2-a]indole-4,1'-cyclopropane]-8-carboxamide

C20H18N4O2 — CID 57394161

IUPAC1-oxo-N-pyridin-3-ylspiro[3,5-dihydro-2H-[1,4]diazepino[1,2-a]indole-4,1'-cyclopropane]-8-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2cc3n(c2c1)CC1(CC1)CNC3=O
InChIInChI=1S/C20H18N4O2/c25-18(23-15-2-1-7-21-10-15)14-4-3-13-8-17-19(26)22-11-20(5-6-20)12-24(17)16(13)9-14/h1-4,7-10H,5-6,11-12H2,(H,22,26)(H,23,25)
InChIKeyFCTSFXREUIQMDP-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.81
Rot. Bonds2

About 1-oxo-N-pyridin-3-ylspiro[3,5-dihydro-2H-[1,4]diazepino[1,2-a]indole-4,1'-cyclopropane]-8-carboxamide

1-oxo-N-pyridin-3-ylspiro[3,5-dihydro-2H-[1,4]diazepino[1,2-a]indole-4,1'-cyclopropane]-8-carboxamide (PubChem CID 57394161) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-oxo-N-pyridin-3-ylspiro[3,5-dihydro-2H-[1,4]diazepino[1,2-a]indole-4,1'-cyclopropane]-8-carboxamide.

Molecular Properties

Compound Name1-oxo-N-pyridin-3-ylspiro[3,5-dihydro-2H-[1,4]diazepino[1,2-a]indole-4,1'-cyclopropane]-8-carboxamide
PubChem CID57394161
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name1-oxo-N-pyridin-3-ylspiro[3,5-dihydro-2H-[1,4]diazepino[1,2-a]indole-4,1'-cyclopropane]-8-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2cc3n(c2c1)CC1(CC1)CNC3=O
InChIInChI=1S/C20H18N4O2/c25-18(23-15-2-1-7-21-10-15)14-4-3-13-8-17-19(26)22-11-20(5-6-20)12-24(17)16(13)9-14/h1-4,7-10H,5-6,11-12H2,(H,22,26)(H,23,25)
InChIKeyFCTSFXREUIQMDP-UHFFFAOYSA-N
XLogP2.81
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-pyridin-3-ylspiro[3,5-dihydro-2H-[1,4]diazepino[1,2-a]indole-4,1'-cyclopropane]-8-carboxamide?
The IUPAC name of 1-oxo-N-pyridin-3-ylspiro[3,5-dihydro-2H-[1,4]diazepino[1,2-a]indole-4,1'-cyclopropane]-8-carboxamide (CID 57394161) is 1-oxo-N-pyridin-3-ylspiro[3,5-dihydro-2H-[1,4]diazepino[1,2-a]indole-4,1'-cyclopropane]-8-carboxamide.
What is the SMILES notation for 1-oxo-N-pyridin-3-ylspiro[3,5-dihydro-2H-[1,4]diazepino[1,2-a]indole-4,1'-cyclopropane]-8-carboxamide?
The canonical SMILES for 1-oxo-N-pyridin-3-ylspiro[3,5-dihydro-2H-[1,4]diazepino[1,2-a]indole-4,1'-cyclopropane]-8-carboxamide is O=C(Nc1cccnc1)c1ccc2cc3n(c2c1)CC1(CC1)CNC3=O.
What is the InChIKey of 1-oxo-N-pyridin-3-ylspiro[3,5-dihydro-2H-[1,4]diazepino[1,2-a]indole-4,1'-cyclopropane]-8-carboxamide?
The InChIKey is FCTSFXREUIQMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-18(23-15-2-1-7-21-10-15)14-4-3-13-8-17-19(26)22-11-20(5-6-20)12-24(17)16(13)9-14/h1-4,7-10H,5-6,11-12H2,(H,22,26)(H,23,25).
What are the key properties of 1-oxo-N-pyridin-3-ylspiro[3,5-dihydro-2H-[1,4]diazepino[1,2-a]indole-4,1'-cyclopropane]-8-carboxamide?
1-oxo-N-pyridin-3-ylspiro[3,5-dihydro-2H-[1,4]diazepino[1,2-a]indole-4,1'-cyclopropane]-8-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N-pyridin-3-ylspiro[3,5-dihydro-2H-[1,4]diazepino[1,2-a]indole-4,1'-cyclopropane]-8-carboxamide is sourced from PubChem (CID 57394161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).