4-[2-(aminomethyl)phenyl]-2-pyridin-4-yl-1H-indole-7-carboxamide;1H-azet-2-one

C24H21N5O2 — CID 174783807

IUPAC4-[2-(aminomethyl)phenyl]-2-pyridin-4-yl-1H-indole-7-carboxamide;1H-azet-2-one
SMILESNCc1ccccc1-c1ccc(C(N)=O)c2[nH]c(-c3ccncc3)cc12.O=C1C=CN1
InChIInChI=1S/C21H18N4O.C3H3NO/c22-12-14-3-1-2-4-15(14)16-5-6-17(21(23)26)20-18(16)11-19(25-20)13-7-9-24-10-8-13;5-3-1-2-4-3/h1-11,25H,12,22H2,(H2,23,26);1-2H,(H,4,5)
InChIKeyXIURFGOGPVEWNW-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.08
Rot. Bonds4

About 4-[2-(aminomethyl)phenyl]-2-pyridin-4-yl-1H-indole-7-carboxamide;1H-azet-2-one

4-[2-(aminomethyl)phenyl]-2-pyridin-4-yl-1H-indole-7-carboxamide;1H-azet-2-one (PubChem CID 174783807) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 4-[2-(aminomethyl)phenyl]-2-pyridin-4-yl-1H-indole-7-carboxamide;1H-azet-2-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)phenyl]-2-pyridin-4-yl-1H-indole-7-carboxamide;1H-azet-2-one
PubChem CID174783807
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name4-[2-(aminomethyl)phenyl]-2-pyridin-4-yl-1H-indole-7-carboxamide;1H-azet-2-one
SMILESNCc1ccccc1-c1ccc(C(N)=O)c2[nH]c(-c3ccncc3)cc12.O=C1C=CN1
InChIInChI=1S/C21H18N4O.C3H3NO/c22-12-14-3-1-2-4-15(14)16-5-6-17(21(23)26)20-18(16)11-19(25-20)13-7-9-24-10-8-13;5-3-1-2-4-3/h1-11,25H,12,22H2,(H2,23,26);1-2H,(H,4,5)
InChIKeyXIURFGOGPVEWNW-UHFFFAOYSA-N
XLogP3.08
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)phenyl]-2-pyridin-4-yl-1H-indole-7-carboxamide;1H-azet-2-one?
The IUPAC name of 4-[2-(aminomethyl)phenyl]-2-pyridin-4-yl-1H-indole-7-carboxamide;1H-azet-2-one (CID 174783807) is 4-[2-(aminomethyl)phenyl]-2-pyridin-4-yl-1H-indole-7-carboxamide;1H-azet-2-one.
What is the SMILES notation for 4-[2-(aminomethyl)phenyl]-2-pyridin-4-yl-1H-indole-7-carboxamide;1H-azet-2-one?
The canonical SMILES for 4-[2-(aminomethyl)phenyl]-2-pyridin-4-yl-1H-indole-7-carboxamide;1H-azet-2-one is NCc1ccccc1-c1ccc(C(N)=O)c2[nH]c(-c3ccncc3)cc12.O=C1C=CN1.
What is the InChIKey of 4-[2-(aminomethyl)phenyl]-2-pyridin-4-yl-1H-indole-7-carboxamide;1H-azet-2-one?
The InChIKey is XIURFGOGPVEWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O.C3H3NO/c22-12-14-3-1-2-4-15(14)16-5-6-17(21(23)26)20-18(16)11-19(25-20)13-7-9-24-10-8-13;5-3-1-2-4-3/h1-11,25H,12,22H2,(H2,23,26);1-2H,(H,4,5).
What are the key properties of 4-[2-(aminomethyl)phenyl]-2-pyridin-4-yl-1H-indole-7-carboxamide;1H-azet-2-one?
4-[2-(aminomethyl)phenyl]-2-pyridin-4-yl-1H-indole-7-carboxamide;1H-azet-2-one has a molecular weight of 411.47 g/mol, XLogP of 3.08, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)phenyl]-2-pyridin-4-yl-1H-indole-7-carboxamide;1H-azet-2-one is sourced from PubChem (CID 174783807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).