N-[4-[4-(2,3-dimethylbut-2-enoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide

C23H24N4O2 — CID 146614177

IUPACN-[4-[4-(2,3-dimethylbut-2-enoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(C)=C(C)C(=O)Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C23H24N4O2/c1-14(2)15(3)22(28)25-19-5-4-6-20-18(19)10-12-27(20)17-9-11-24-21(13-17)26-23(29)16-7-8-16/h4-6,9-13,16H,7-8H2,1-3H3,(H,25,28)(H,24,26,29)
InChIKeyIOSJMLHHQCHLML-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.67
Rot. Bonds5

About N-[4-[4-(2,3-dimethylbut-2-enoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[4-(2,3-dimethylbut-2-enoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 146614177) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[4-[4-(2,3-dimethylbut-2-enoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-(2,3-dimethylbut-2-enoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID146614177
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[4-[4-(2,3-dimethylbut-2-enoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(C)=C(C)C(=O)Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C23H24N4O2/c1-14(2)15(3)22(28)25-19-5-4-6-20-18(19)10-12-27(20)17-9-11-24-21(13-17)26-23(29)16-7-8-16/h4-6,9-13,16H,7-8H2,1-3H3,(H,25,28)(H,24,26,29)
InChIKeyIOSJMLHHQCHLML-UHFFFAOYSA-N
XLogP4.67
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(2-cyanopropanoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 146571625
N-[1-[2-(cyclopropanecarbonylamino)-4-pyridinyl]indol-4-yl]-2,3-difluoropyridine-4-carboxamide
CID 146571651
(3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96556781
N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
CID 47251954
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 102674384
2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 136541713
N-[4-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-2-pyridinyl]cyclohexanecarboxamide
CID 124636526
3-(cyclopropanecarbonylamino)-1-methylindole-2-carboxylic acid
CID 155961141
N-(2-amino-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 155516197
N-quinolin-5-ylcyclohexanecarboxamide
CID 8873343

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dimethylbut-2-enoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-(2,3-dimethylbut-2-enoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 146614177) is N-[4-[4-(2,3-dimethylbut-2-enoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-(2,3-dimethylbut-2-enoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-(2,3-dimethylbut-2-enoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide is CC(C)=C(C)C(=O)Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[4-[4-(2,3-dimethylbut-2-enoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is IOSJMLHHQCHLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14(2)15(3)22(28)25-19-5-4-6-20-18(19)10-12-27(20)17-9-11-24-21(13-17)26-23(29)16-7-8-16/h4-6,9-13,16H,7-8H2,1-3H3,(H,25,28)(H,24,26,29).
What are the key properties of N-[4-[4-(2,3-dimethylbut-2-enoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[4-(2,3-dimethylbut-2-enoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dimethylbut-2-enoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 146614177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).