4-[3-[[(Z)-but-2-enoyl]amino]phenyl]-1H-indole-7-carboxamide

C19H17N3O2 — CID 141436482

IUPAC4-[3-[[(Z)-but-2-enoyl]amino]phenyl]-1H-indole-7-carboxamide
SMILESC/C=C\C(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]ccc23)c1
InChIInChI=1S/C19H17N3O2/c1-2-4-17(23)22-13-6-3-5-12(11-13)14-7-8-16(19(20)24)18-15(14)9-10-21-18/h2-11,21H,1H3,(H2,20,24)(H,22,23)/b4-2-
InChIKeyBPFPVQUPJNNFMU-RQOWECAXSA-N
MW319.36 g/mol
LogP3.45
Rot. Bonds4

About 4-[3-[[(Z)-but-2-enoyl]amino]phenyl]-1H-indole-7-carboxamide

4-[3-[[(Z)-but-2-enoyl]amino]phenyl]-1H-indole-7-carboxamide (PubChem CID 141436482) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[3-[[(Z)-but-2-enoyl]amino]phenyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-[3-[[(Z)-but-2-enoyl]amino]phenyl]-1H-indole-7-carboxamide
PubChem CID141436482
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-[3-[[(Z)-but-2-enoyl]amino]phenyl]-1H-indole-7-carboxamide
SMILESC/C=C\C(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]ccc23)c1
InChIInChI=1S/C19H17N3O2/c1-2-4-17(23)22-13-6-3-5-12(11-13)14-7-8-16(19(20)24)18-15(14)9-10-21-18/h2-11,21H,1H3,(H2,20,24)(H,22,23)/b4-2-
InChIKeyBPFPVQUPJNNFMU-RQOWECAXSA-N
XLogP3.45
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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
5-(but-2-enoylamino)-2-fluorobenzamide
CID 112726723
3-methyl-4-[3-(2-methylprop-2-enoylamino)phenyl]-1H-indole-7-carboxamide
CID 175081872
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
4-[2-(2-oxobut-3-enyl)-4-pyridinyl]-1H-indole-7-carboxamide
CID 161253252
4-[3-[buta-1,3-dien-2-yl(cyclopentylmethyl)amino]phenyl]-1H-indole-7-carboxamide
CID 138641428
(Z)-N-phenylbut-2-enamide
CID 59909226
(E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide
CID 110478051
(E)-N-[3-(hydroxymethyl)phenyl]but-2-enamide
CID 60630094
1,1-dimethyl-3-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]urea
CID 169215153
(E)-N-[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]but-2-enamide
CID 71092778

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(Z)-but-2-enoyl]amino]phenyl]-1H-indole-7-carboxamide?
The IUPAC name of 4-[3-[[(Z)-but-2-enoyl]amino]phenyl]-1H-indole-7-carboxamide (CID 141436482) is 4-[3-[[(Z)-but-2-enoyl]amino]phenyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 4-[3-[[(Z)-but-2-enoyl]amino]phenyl]-1H-indole-7-carboxamide?
The canonical SMILES for 4-[3-[[(Z)-but-2-enoyl]amino]phenyl]-1H-indole-7-carboxamide is C/C=C\C(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]ccc23)c1.
What is the InChIKey of 4-[3-[[(Z)-but-2-enoyl]amino]phenyl]-1H-indole-7-carboxamide?
The InChIKey is BPFPVQUPJNNFMU-RQOWECAXSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-2-4-17(23)22-13-6-3-5-12(11-13)14-7-8-16(19(20)24)18-15(14)9-10-21-18/h2-11,21H,1H3,(H2,20,24)(H,22,23)/b4-2-.
What are the key properties of 4-[3-[[(Z)-but-2-enoyl]amino]phenyl]-1H-indole-7-carboxamide?
4-[3-[[(Z)-but-2-enoyl]amino]phenyl]-1H-indole-7-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(Z)-but-2-enoyl]amino]phenyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 141436482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).