4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile

C27H20N4O — CID 24866349

IUPAC4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(OCc3ccccc3)c2)c1Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C27H20N4O/c28-15-22-16-29-17-25(27(22)31-23-9-10-26-21(13-23)11-12-30-26)20-7-4-8-24(14-20)32-18-19-5-2-1-3-6-19/h1-14,16-17,30H,18H2,(H,29,31)
InChIKeyHMYMXCQGJNVKCG-UHFFFAOYSA-N
MW416.48 g/mol
LogP6.42
Rot. Bonds6

About 4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile

4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 24866349) has the molecular formula C27H20N4O and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
PubChem CID24866349
Molecular FormulaC27H20N4O
Molecular Weight416.48 g/mol
Exact Mass416.16
IUPAC Name4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(OCc3ccccc3)c2)c1Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C27H20N4O/c28-15-22-16-29-17-25(27(22)31-23-9-10-26-21(13-23)11-12-30-26)20-7-4-8-24(14-20)32-18-19-5-2-1-3-6-19/h1-14,16-17,30H,18H2,(H,29,31)
InChIKeyHMYMXCQGJNVKCG-UHFFFAOYSA-N
XLogP6.42
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(2-chloroethoxy)phenyl]-4-(1H-indol-6-ylamino)pyridine-3-carbonitrile
CID 24865435
5-[3-(3-cyanophenyl)phenyl]-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile
CID 24864348
N-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridinyl]phenyl]acetamide
CID 24865070
4-(1H-indol-5-ylamino)-5-[4-methoxy-3-[2-(1-pyridin-3-ylethylamino)ethoxy]phenyl]pyridine-3-carbonitrile
CID 68969109
[4-[3-[5-cyano-4-(1H-indol-4-ylamino)-3-pyridinyl]phenyl]phenyl] hydrogen carbonate
CID 118510475
4-(1H-indol-5-yloxymethyl)pyridine-2-carbonitrile
CID 80643657
4-(1H-indol-5-ylamino)-2-(1-phenylethenyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 69478244
4-methyl-5-(3-phenylmethoxyphenyl)pyridin-3-amine
CID 178203209
4-amino-5-(1H-indol-5-yl)pyridine-3-carbonitrile
CID 66921057
2-(difluoromethoxy)-4-(3-phenylmethoxyphenyl)benzonitrile
CID 175686570
5-[3-methoxy-4-[2-(1-phenylpropan-2-ylamino)ethoxy]phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
CID 118510446
N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22030547

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile (CID 24866349) is 4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile is N#Cc1cncc(-c2cccc(OCc3ccccc3)c2)c1Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is HMYMXCQGJNVKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O/c28-15-22-16-29-17-25(27(22)31-23-9-10-26-21(13-23)11-12-30-26)20-7-4-8-24(14-20)32-18-19-5-2-1-3-6-19/h1-14,16-17,30H,18H2,(H,29,31).
What are the key properties of 4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile?
4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 416.48 g/mol, XLogP of 6.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 24866349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).