N-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]pyridine-3-carboxamide

C24H17N3O3 — CID 1107922

IUPACN-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]pyridine-3-carboxamide
SMILESO=C(NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1cccnc1
InChIInChI=1S/C24H17N3O3/c28-22(13-6-5-11-25-12-13)26-27-23(29)20-18-14-7-1-2-8-15(14)19(21(20)24(27)30)17-10-4-3-9-16(17)18/h1-12,18-21H,(H,26,28)/t18?,19?,20-,21-/m0/s1
InChIKeyBLZFNNJHAMBXRO-JSRAGOMMSA-N
MW395.42 g/mol
LogP2.62
Rot. Bonds2

About N-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]pyridine-3-carboxamide

N-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]pyridine-3-carboxamide (PubChem CID 1107922) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]pyridine-3-carboxamide
PubChem CID1107922
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC NameN-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]pyridine-3-carboxamide
SMILESO=C(NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1cccnc1
InChIInChI=1S/C24H17N3O3/c28-22(13-6-5-11-25-12-13)26-27-23(29)20-18-14-7-1-2-8-15(14)19(21(20)24(27)30)17-10-4-3-9-16(17)18/h1-12,18-21H,(H,26,28)/t18?,19?,20-,21-/m0/s1
InChIKeyBLZFNNJHAMBXRO-JSRAGOMMSA-N
XLogP2.62
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(1S,2R,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]pyridine-3-carboxamide
CID 98051227
N-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]pyridine-3-carboxamide
CID 124754934
4-chloro-N-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide
CID 1100992
N-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methoxybenzamide
CID 1007105
N-[(1S,8S,9S,14R,15S,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,10,12-pentaen-17-yl]pyridine-4-carboxamide
CID 100864795
N-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-3-carboxamide
CID 2788639
N-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzamide
CID 2842566
N-methylpyridine-3-carboxamide chloride
CID 20976730
N-[(Z)-[(15S,19R)-16,18-dioxo-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]pyridine-3-carboxamide
CID 41314663
trimethyl-(pyridine-3-carbonylamino)azanium
CID 177120197
(15R,19R)-17-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 830957
N-(2,4-dioxo-1,3-diazinan-1-yl)pyridine-3-carboxamide
CID 6502102

Frequently Asked Questions

What is the IUPAC name of N-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]pyridine-3-carboxamide (CID 1107922) is N-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]pyridine-3-carboxamide is O=C(NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1cccnc1.
What is the InChIKey of N-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]pyridine-3-carboxamide?
The InChIKey is BLZFNNJHAMBXRO-JSRAGOMMSA-N. The full InChI is InChI=1S/C24H17N3O3/c28-22(13-6-5-11-25-12-13)26-27-23(29)20-18-14-7-1-2-8-15(14)19(21(20)24(27)30)17-10-4-3-9-16(17)18/h1-12,18-21H,(H,26,28)/t18?,19?,20-,21-/m0/s1.
What are the key properties of N-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]pyridine-3-carboxamide?
N-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]pyridine-3-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]pyridine-3-carboxamide is sourced from PubChem (CID 1107922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).