1-oxo-N-pyridin-4-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide

C18H16N4O2 — CID 57397643

IUPAC1-oxo-N-pyridin-4-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
SMILESO=C(Nc1ccncc1)c1ccc2cc3n(c2c1)CCCNC3=O
InChIInChI=1S/C18H16N4O2/c23-17(21-14-4-7-19-8-5-14)13-3-2-12-10-16-18(24)20-6-1-9-22(16)15(12)11-13/h2-5,7-8,10-11H,1,6,9H2,(H,20,24)(H,19,21,23)
InChIKeyFTOWCRNOCYACIS-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.42
Rot. Bonds2

About 1-oxo-N-pyridin-4-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide

1-oxo-N-pyridin-4-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide (PubChem CID 57397643) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-oxo-N-pyridin-4-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide.

Molecular Properties

Compound Name1-oxo-N-pyridin-4-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
PubChem CID57397643
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name1-oxo-N-pyridin-4-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
SMILESO=C(Nc1ccncc1)c1ccc2cc3n(c2c1)CCCNC3=O
InChIInChI=1S/C18H16N4O2/c23-17(21-14-4-7-19-8-5-14)13-3-2-12-10-16-18(24)20-6-1-9-22(16)15(12)11-13/h2-5,7-8,10-11H,1,6,9H2,(H,20,24)(H,19,21,23)
InChIKeyFTOWCRNOCYACIS-UHFFFAOYSA-N
XLogP2.42
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-oxo-N-pyridin-4-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide with MolForge

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Related Compounds

LY-517717
CID 9939865
(3s)-3-(1h-Indol-3-Ylmethyl)-3,4-Dihydro-1h-1,4-Benzodiazepine-2,5-Dione
CID 10017963
Piperazine, 1-(1H-indol-3-yloxoacetyl)-4-phenyl-
CID 3054779
Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4-dihydro-
CID 206931
Pyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro-
CID 3041095
(s)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(5-fluoropentyl)-1h-indole-3-carboxamide
CID 125181260
(R)-N-(3-(1h-Indol-3-Yl)-1-Oxo-1-(Pyridin-4-Ylamino)propan-2-Yl)-3,3'-Difluoro-(1,1'-Biphenyl)-4-Carboxamide
CID 72706059
2-[4-[(Dimethylamino)methyl]phenyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
CID 9797108
2,2,2-trifluoroacetate; 4-[({1-[(4-carbamimidoylphenyl)methyl]-1H-indol-2-yl}formamido)methyl]-1-methylpyridin-1-ium
CID 9827724
3-Amidinobenzylindole carboxamide 2
CID 9828698
2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-5-fluoro-1H-indol-2-yl}formamido)methyl]-1-methylpyridin-1-ium
CID 9914912
2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-1H-indol-2-yl}formamido)methyl]-1-methylpyridin-1-ium
CID 9958024

Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-pyridin-4-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide?
The IUPAC name of 1-oxo-N-pyridin-4-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide (CID 57397643) is 1-oxo-N-pyridin-4-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide.
What is the SMILES notation for 1-oxo-N-pyridin-4-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide?
The canonical SMILES for 1-oxo-N-pyridin-4-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide is O=C(Nc1ccncc1)c1ccc2cc3n(c2c1)CCCNC3=O.
What is the InChIKey of 1-oxo-N-pyridin-4-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide?
The InChIKey is FTOWCRNOCYACIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-17(21-14-4-7-19-8-5-14)13-3-2-12-10-16-18(24)20-6-1-9-22(16)15(12)11-13/h2-5,7-8,10-11H,1,6,9H2,(H,20,24)(H,19,21,23).
What are the key properties of 1-oxo-N-pyridin-4-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide?
1-oxo-N-pyridin-4-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.42, 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-4-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide is sourced from PubChem (CID 57397643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).