4-amino-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]phenyl]cyclohexane-1-carboxamide

C26H26N4O2 — CID 54175365

IUPAC4-amino-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]phenyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cccc(-c3cccc4c3C(=Cc3ccc[nH]3)C(=O)N4)c2)CC1
InChIInChI=1S/C26H26N4O2/c27-18-11-9-16(10-12-18)25(31)29-20-5-1-4-17(14-20)21-7-2-8-23-24(21)22(26(32)30-23)15-19-6-3-13-28-19/h1-8,13-16,18,28H,9-12,27H2,(H,29,31)(H,30,32)
InChIKeyOXYFCYJKJVYXPC-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.63
Rot. Bonds4

About 4-amino-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]phenyl]cyclohexane-1-carboxamide

4-amino-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]phenyl]cyclohexane-1-carboxamide (PubChem CID 54175365) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-amino-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]phenyl]cyclohexane-1-carboxamide
PubChem CID54175365
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name4-amino-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]phenyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cccc(-c3cccc4c3C(=Cc3ccc[nH]3)C(=O)N4)c2)CC1
InChIInChI=1S/C26H26N4O2/c27-18-11-9-16(10-12-18)25(31)29-20-5-1-4-17(14-20)21-7-2-8-23-24(21)22(26(32)30-23)15-19-6-3-13-28-19/h1-8,13-16,18,28H,9-12,27H2,(H,29,31)(H,30,32)
InChIKeyOXYFCYJKJVYXPC-UHFFFAOYSA-N
XLogP4.63
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-4-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 59971441
cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
1-[3-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-phenylurea
CID 68704684
N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide
CID 166188841
4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 60848284
4-amino-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 60848992
1-(3-chloro-4-fluorophenyl)-3-[3-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 68706304
3-(4-methylpiperazin-1-yl)-N-[3-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]phenyl]-5-(trifluoromethyl)benzamide
CID 59804350
4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 60847397
N-(3-formamidophenyl)cyclopropanecarboxamide
CID 64991224
N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide
CID 119477045
(3Z)-5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 18363885

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]phenyl]cyclohexane-1-carboxamide (CID 54175365) is 4-amino-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]phenyl]cyclohexane-1-carboxamide is NC1CCC(C(=O)Nc2cccc(-c3cccc4c3C(=Cc3ccc[nH]3)C(=O)N4)c2)CC1.
What is the InChIKey of 4-amino-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]phenyl]cyclohexane-1-carboxamide?
The InChIKey is OXYFCYJKJVYXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c27-18-11-9-16(10-12-18)25(31)29-20-5-1-4-17(14-20)21-7-2-8-23-24(21)22(26(32)30-23)15-19-6-3-13-28-19/h1-8,13-16,18,28H,9-12,27H2,(H,29,31)(H,30,32).
What are the key properties of 4-amino-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]phenyl]cyclohexane-1-carboxamide?
4-amino-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]phenyl]cyclohexane-1-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.63, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 54175365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).