N-(pyridin-4-ylmethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide

C25H18N4O — CID 155517471

IUPACN-(pyridin-4-ylmethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide
SMILESO=C(NCc1ccncc1)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccccc12
InChIInChI=1S/C25H18N4O/c30-25(27-14-15-9-11-26-12-10-15)19-13-18-16-5-1-3-7-20(16)28-23(18)22-17-6-2-4-8-21(17)29-24(19)22/h1-13,28-29H,14H2,(H,27,30)
InChIKeyGUDDTKJBDCPMKF-UHFFFAOYSA-N
MW390.45 g/mol
LogP5.28
Rot. Bonds3

About N-(pyridin-4-ylmethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide

N-(pyridin-4-ylmethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide (PubChem CID 155517471) has the molecular formula C25H18N4O and a molecular weight of 390.45 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide
PubChem CID155517471
Molecular FormulaC25H18N4O
Molecular Weight390.45 g/mol
Exact Mass390.15
IUPAC NameN-(pyridin-4-ylmethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide
SMILESO=C(NCc1ccncc1)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccccc12
InChIInChI=1S/C25H18N4O/c30-25(27-14-15-9-11-26-12-10-15)19-13-18-16-5-1-3-7-20(16)28-23(18)22-17-6-2-4-8-21(17)29-24(19)22/h1-13,28-29H,14H2,(H,27,30)
InChIKeyGUDDTKJBDCPMKF-UHFFFAOYSA-N
XLogP5.28
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide (CID 155517471) is N-(pyridin-4-ylmethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide is O=C(NCc1ccncc1)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccccc12.
What is the InChIKey of N-(pyridin-4-ylmethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide?
The InChIKey is GUDDTKJBDCPMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O/c30-25(27-14-15-9-11-26-12-10-15)19-13-18-16-5-1-3-7-20(16)28-23(18)22-17-6-2-4-8-21(17)29-24(19)22/h1-13,28-29H,14H2,(H,27,30).
What are the key properties of N-(pyridin-4-ylmethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide?
N-(pyridin-4-ylmethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 5.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide is sourced from PubChem (CID 155517471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).