[1-[methyl(pyridin-4-yl)amino]indol-5-yl]-(4-phenylpiperazin-1-yl)carbamic acid

C25H26N6O2 — CID 67619193

IUPAC[1-[methyl(pyridin-4-yl)amino]indol-5-yl]-(4-phenylpiperazin-1-yl)carbamic acid
SMILESCN(c1ccncc1)n1ccc2cc(N(C(=O)O)N3CCN(c4ccccc4)CC3)ccc21
InChIInChI=1S/C25H26N6O2/c1-27(21-9-12-26-13-10-21)30-14-11-20-19-23(7-8-24(20)30)31(25(32)33)29-17-15-28(16-18-29)22-5-3-2-4-6-22/h2-14,19H,15-18H2,1H3,(H,32,33)
InChIKeyBJJBTSKUDRAROF-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.16
Rot. Bonds5

About [1-[methyl(pyridin-4-yl)amino]indol-5-yl]-(4-phenylpiperazin-1-yl)carbamic acid

[1-[methyl(pyridin-4-yl)amino]indol-5-yl]-(4-phenylpiperazin-1-yl)carbamic acid (PubChem CID 67619193) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is [1-[methyl(pyridin-4-yl)amino]indol-5-yl]-(4-phenylpiperazin-1-yl)carbamic acid.

Molecular Properties

Compound Name[1-[methyl(pyridin-4-yl)amino]indol-5-yl]-(4-phenylpiperazin-1-yl)carbamic acid
PubChem CID67619193
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name[1-[methyl(pyridin-4-yl)amino]indol-5-yl]-(4-phenylpiperazin-1-yl)carbamic acid
SMILESCN(c1ccncc1)n1ccc2cc(N(C(=O)O)N3CCN(c4ccccc4)CC3)ccc21
InChIInChI=1S/C25H26N6O2/c1-27(21-9-12-26-13-10-21)30-14-11-20-19-23(7-8-24(20)30)31(25(32)33)29-17-15-28(16-18-29)22-5-3-2-4-6-22/h2-14,19H,15-18H2,1H3,(H,32,33)
InChIKeyBJJBTSKUDRAROF-UHFFFAOYSA-N
XLogP4.16
TPSA68.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-chloropyrrol-1-yl)-pyridin-4-ylcarbamic acid
CID 19072353
N,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 53160987
N-methyl-N,4-diphenylpiperazine-1-carboxamide
CID 890140
phenyl(pyrrolidin-1-yl)carbamic acid
CID 67619544
N-methyl-N-(1-methylindol-5-yl)benzamide
CID 54508219
3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 9255042
3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl-(4-methyl-1-pyridin-4-ylpiperidin-4-yl)methanone
CID 166246706
N-methyl-N-(2-methylpyrrol-1-yl)pyridin-4-amine
CID 19774579
methyl(pyridin-4-yl)carbamic acid
CID 54205463
4-methoxy-1-phenylpiperidine-4-carboxylic acid
CID 106821204
N-(dimethylaminomethylidene)-4-phenylpiperazine-1-carboxamide
CID 3771212
1-(4-chloro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 70247357

Frequently Asked Questions

What is the IUPAC name of [1-[methyl(pyridin-4-yl)amino]indol-5-yl]-(4-phenylpiperazin-1-yl)carbamic acid?
The IUPAC name of [1-[methyl(pyridin-4-yl)amino]indol-5-yl]-(4-phenylpiperazin-1-yl)carbamic acid (CID 67619193) is [1-[methyl(pyridin-4-yl)amino]indol-5-yl]-(4-phenylpiperazin-1-yl)carbamic acid.
What is the SMILES notation for [1-[methyl(pyridin-4-yl)amino]indol-5-yl]-(4-phenylpiperazin-1-yl)carbamic acid?
The canonical SMILES for [1-[methyl(pyridin-4-yl)amino]indol-5-yl]-(4-phenylpiperazin-1-yl)carbamic acid is CN(c1ccncc1)n1ccc2cc(N(C(=O)O)N3CCN(c4ccccc4)CC3)ccc21.
What is the InChIKey of [1-[methyl(pyridin-4-yl)amino]indol-5-yl]-(4-phenylpiperazin-1-yl)carbamic acid?
The InChIKey is BJJBTSKUDRAROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-27(21-9-12-26-13-10-21)30-14-11-20-19-23(7-8-24(20)30)31(25(32)33)29-17-15-28(16-18-29)22-5-3-2-4-6-22/h2-14,19H,15-18H2,1H3,(H,32,33).
What are the key properties of [1-[methyl(pyridin-4-yl)amino]indol-5-yl]-(4-phenylpiperazin-1-yl)carbamic acid?
[1-[methyl(pyridin-4-yl)amino]indol-5-yl]-(4-phenylpiperazin-1-yl)carbamic acid has a molecular weight of 442.52 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[methyl(pyridin-4-yl)amino]indol-5-yl]-(4-phenylpiperazin-1-yl)carbamic acid is sourced from PubChem (CID 67619193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).