2-(6-chloroindol-1-yl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]acetamide

C24H22ClN5O2 — CID 166184378

IUPAC2-(6-chloroindol-1-yl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]acetamide
SMILESO=C(Cn1ccc2ccc(Cl)cc21)NCc1cccc(NC(=O)NCc2ccncc2)c1
InChIInChI=1S/C24H22ClN5O2/c25-20-5-4-19-8-11-30(22(19)13-20)16-23(31)27-15-18-2-1-3-21(12-18)29-24(32)28-14-17-6-9-26-10-7-17/h1-13H,14-16H2,(H,27,31)(H2,28,29,32)
InChIKeyFGDTYKOWYKECSG-UHFFFAOYSA-N
MW447.93 g/mol
LogP4.33
Rot. Bonds7

About 2-(6-chloroindol-1-yl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]acetamide

2-(6-chloroindol-1-yl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]acetamide (PubChem CID 166184378) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is 2-(6-chloroindol-1-yl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-chloroindol-1-yl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]acetamide
PubChem CID166184378
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC Name2-(6-chloroindol-1-yl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]acetamide
SMILESO=C(Cn1ccc2ccc(Cl)cc21)NCc1cccc(NC(=O)NCc2ccncc2)c1
InChIInChI=1S/C24H22ClN5O2/c25-20-5-4-19-8-11-30(22(19)13-20)16-23(31)27-15-18-2-1-3-21(12-18)29-24(32)28-14-17-6-9-26-10-7-17/h1-13H,14-16H2,(H,27,31)(H2,28,29,32)
InChIKeyFGDTYKOWYKECSG-UHFFFAOYSA-N
XLogP4.33
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide
CID 115590570
2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 110908781
2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55997984
2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide
CID 116621944
N-benzyl-2-(6-fluoroindol-1-yl)acetamide
CID 116619757
4-amino-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]pentanamide;dihydrochloride
CID 120565299
2-methyl-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]cyclopropane-1-carboxamide
CID 56823788
2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 42655004
2-(6-chloroindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 115590572
2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 45493262
N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064649
1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 10020988

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindol-1-yl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]acetamide?
The IUPAC name of 2-(6-chloroindol-1-yl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]acetamide (CID 166184378) is 2-(6-chloroindol-1-yl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(6-chloroindol-1-yl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]acetamide?
The canonical SMILES for 2-(6-chloroindol-1-yl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]acetamide is O=C(Cn1ccc2ccc(Cl)cc21)NCc1cccc(NC(=O)NCc2ccncc2)c1.
What is the InChIKey of 2-(6-chloroindol-1-yl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]acetamide?
The InChIKey is FGDTYKOWYKECSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c25-20-5-4-19-8-11-30(22(19)13-20)16-23(31)27-15-18-2-1-3-21(12-18)29-24(32)28-14-17-6-9-26-10-7-17/h1-13H,14-16H2,(H,27,31)(H2,28,29,32).
What are the key properties of 2-(6-chloroindol-1-yl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]acetamide?
2-(6-chloroindol-1-yl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]acetamide has a molecular weight of 447.93 g/mol, XLogP of 4.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindol-1-yl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 166184378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).