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

C24H19N3O3 — CID 100864795

IUPACN-[(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
SMILESO=C(NN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3[C@H]2[C@@H]2C=CC=C[C@@H]21)c1ccncc1
InChIInChI=1S/C24H19N3O3/c28-22(13-9-11-25-12-10-13)26-27-23(29)20-18-14-5-1-2-6-15(14)19(21(20)24(27)30)17-8-4-3-7-16(17)18/h1-12,14-15,18-21H,(H,26,28)/t14-,15+,18-,19-,20+,21-/m1/s1
InChIKeyNVMBSBHKEBHUNI-PQQLZPAPSA-N
MW397.43 g/mol
LogP2.58
Rot. Bonds2

About 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

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 (PubChem CID 100864795) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID100864795
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC NameN-[(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
SMILESO=C(NN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3[C@H]2[C@@H]2C=CC=C[C@@H]21)c1ccncc1
InChIInChI=1S/C24H19N3O3/c28-22(13-9-11-25-12-10-13)26-27-23(29)20-18-14-5-1-2-6-15(14)19(21(20)24(27)30)17-8-4-3-7-16(17)18/h1-12,14-15,18-21H,(H,26,28)/t14-,15+,18-,19-,20+,21-/m1/s1
InChIKeyNVMBSBHKEBHUNI-PQQLZPAPSA-N
XLogP2.58
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(NN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3[C@H]2[C@@H]2C=CC=C[C@@H]21)c1ccncc1.
What is the InChIKey of 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?
The InChIKey is NVMBSBHKEBHUNI-PQQLZPAPSA-N. The full InChI is InChI=1S/C24H19N3O3/c28-22(13-9-11-25-12-10-13)26-27-23(29)20-18-14-5-1-2-6-15(14)19(21(20)24(27)30)17-8-4-3-7-16(17)18/h1-12,14-15,18-21H,(H,26,28)/t14-,15+,18-,19-,20+,21-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 397.43 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 100864795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).