4-[2-(2-oxobut-3-enyl)-4-pyridinyl]-1H-indole-7-carboxamide

C18H15N3O2 — CID 161253252

IUPAC4-[2-(2-oxobut-3-enyl)-4-pyridinyl]-1H-indole-7-carboxamide
SMILESC=CC(=O)Cc1cc(-c2ccc(C(N)=O)c3[nH]ccc23)ccn1
InChIInChI=1S/C18H15N3O2/c1-2-13(22)10-12-9-11(5-7-20-12)14-3-4-16(18(19)23)17-15(14)6-8-21-17/h2-9,21H,1,10H2,(H2,19,23)
InChIKeyVBOBJMCTNDBZLY-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.63
Rot. Bonds5

About 4-[2-(2-oxobut-3-enyl)-4-pyridinyl]-1H-indole-7-carboxamide

4-[2-(2-oxobut-3-enyl)-4-pyridinyl]-1H-indole-7-carboxamide (PubChem CID 161253252) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-[2-(2-oxobut-3-enyl)-4-pyridinyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-[2-(2-oxobut-3-enyl)-4-pyridinyl]-1H-indole-7-carboxamide
PubChem CID161253252
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name4-[2-(2-oxobut-3-enyl)-4-pyridinyl]-1H-indole-7-carboxamide
SMILESC=CC(=O)Cc1cc(-c2ccc(C(N)=O)c3[nH]ccc23)ccn1
InChIInChI=1S/C18H15N3O2/c1-2-13(22)10-12-9-11(5-7-20-12)14-3-4-16(18(19)23)17-15(14)6-8-21-17/h2-9,21H,1,10H2,(H2,19,23)
InChIKeyVBOBJMCTNDBZLY-UHFFFAOYSA-N
XLogP2.63
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[3-[3-(aminomethyl)-2-oxobut-3-enyl]phenyl]-1H-indole-7-carboxamide
CID 158596420
4-[5-(1-methoxyethenyl)-3-pyridinyl]-1H-indole-7-carboxamide
CID 163634647
4-[3-[buta-1,3-dien-2-yl(cyclopentylmethyl)amino]phenyl]-1H-indole-7-carboxamide
CID 138641428
4-[4-(aminomethyl)phenyl]-1H-indole-7-carboxamide;1H-azet-2-one
CID 174783814
4-[3-[[(Z)-but-2-enoyl]amino]phenyl]-1H-indole-7-carboxamide
CID 141436482
4-(3-aminophenyl)-2-(2-hydroxyethyl)-1H-indole-7-carboxamide;2-(2-hydroxyethyl)-4-[3-(2-oxobut-3-enyl)phenyl]-1H-indole-7-carboxamide
CID 159286254
2-(2-ethoxyethyl)-4-[3-(2-oxobut-3-enyl)phenyl]-1H-indole-7-carboxamide
CID 147575132
4-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-indole-7-carboxamide
CID 129265164
1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 23515094
3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57482985
4-(azetidin-3-ylmethylamino)-1H-indole-7-carboxamide
CID 125482159
4-[2-(aminomethyl)-3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 150354715

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-oxobut-3-enyl)-4-pyridinyl]-1H-indole-7-carboxamide?
The IUPAC name of 4-[2-(2-oxobut-3-enyl)-4-pyridinyl]-1H-indole-7-carboxamide (CID 161253252) is 4-[2-(2-oxobut-3-enyl)-4-pyridinyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 4-[2-(2-oxobut-3-enyl)-4-pyridinyl]-1H-indole-7-carboxamide?
The canonical SMILES for 4-[2-(2-oxobut-3-enyl)-4-pyridinyl]-1H-indole-7-carboxamide is C=CC(=O)Cc1cc(-c2ccc(C(N)=O)c3[nH]ccc23)ccn1.
What is the InChIKey of 4-[2-(2-oxobut-3-enyl)-4-pyridinyl]-1H-indole-7-carboxamide?
The InChIKey is VBOBJMCTNDBZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-2-13(22)10-12-9-11(5-7-20-12)14-3-4-16(18(19)23)17-15(14)6-8-21-17/h2-9,21H,1,10H2,(H2,19,23).
What are the key properties of 4-[2-(2-oxobut-3-enyl)-4-pyridinyl]-1H-indole-7-carboxamide?
4-[2-(2-oxobut-3-enyl)-4-pyridinyl]-1H-indole-7-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-oxobut-3-enyl)-4-pyridinyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 161253252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).