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

C19H18N4O2 — CID 174783814

IUPAC4-[4-(aminomethyl)phenyl]-1H-indole-7-carboxamide;1H-azet-2-one
SMILESNCc1ccc(-c2ccc(C(N)=O)c3[nH]ccc23)cc1.O=C1C=CN1
InChIInChI=1S/C16H15N3O.C3H3NO/c17-9-10-1-3-11(4-2-10)12-5-6-14(16(18)20)15-13(12)7-8-19-15;5-3-1-2-4-3/h1-8,19H,9,17H2,(H2,18,20);1-2H,(H,4,5)
InChIKeyUIWIRXWZBCOKFT-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.02
Rot. Bonds3

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

4-[4-(aminomethyl)phenyl]-1H-indole-7-carboxamide;1H-azet-2-one (PubChem CID 174783814) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[4-(aminomethyl)phenyl]-1H-indole-7-carboxamide;1H-azet-2-one.

Molecular Properties

Compound Name4-[4-(aminomethyl)phenyl]-1H-indole-7-carboxamide;1H-azet-2-one
PubChem CID174783814
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-[4-(aminomethyl)phenyl]-1H-indole-7-carboxamide;1H-azet-2-one
SMILESNCc1ccc(-c2ccc(C(N)=O)c3[nH]ccc23)cc1.O=C1C=CN1
InChIInChI=1S/C16H15N3O.C3H3NO/c17-9-10-1-3-11(4-2-10)12-5-6-14(16(18)20)15-13(12)7-8-19-15;5-3-1-2-4-3/h1-8,19H,9,17H2,(H2,18,20);1-2H,(H,4,5)
InChIKeyUIWIRXWZBCOKFT-UHFFFAOYSA-N
XLogP2.02
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)phenyl]-1H-indole-7-carboxamide;1H-azet-2-one?
The IUPAC name of 4-[4-(aminomethyl)phenyl]-1H-indole-7-carboxamide;1H-azet-2-one (CID 174783814) is 4-[4-(aminomethyl)phenyl]-1H-indole-7-carboxamide;1H-azet-2-one.
What is the SMILES notation for 4-[4-(aminomethyl)phenyl]-1H-indole-7-carboxamide;1H-azet-2-one?
The canonical SMILES for 4-[4-(aminomethyl)phenyl]-1H-indole-7-carboxamide;1H-azet-2-one is NCc1ccc(-c2ccc(C(N)=O)c3[nH]ccc23)cc1.O=C1C=CN1.
What is the InChIKey of 4-[4-(aminomethyl)phenyl]-1H-indole-7-carboxamide;1H-azet-2-one?
The InChIKey is UIWIRXWZBCOKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O.C3H3NO/c17-9-10-1-3-11(4-2-10)12-5-6-14(16(18)20)15-13(12)7-8-19-15;5-3-1-2-4-3/h1-8,19H,9,17H2,(H2,18,20);1-2H,(H,4,5).
What are the key properties of 4-[4-(aminomethyl)phenyl]-1H-indole-7-carboxamide;1H-azet-2-one?
4-[4-(aminomethyl)phenyl]-1H-indole-7-carboxamide;1H-azet-2-one has a molecular weight of 334.38 g/mol, XLogP of 2.02, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)phenyl]-1H-indole-7-carboxamide;1H-azet-2-one is sourced from PubChem (CID 174783814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).