5-[3-(2-chloroethoxy)phenyl]-4-(1H-indol-6-ylamino)pyridine-3-carbonitrile

C22H17ClN4O — CID 24865435

IUPAC5-[3-(2-chloroethoxy)phenyl]-4-(1H-indol-6-ylamino)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(OCCCl)c2)c1Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C22H17ClN4O/c23-7-9-28-19-3-1-2-16(10-19)20-14-25-13-17(12-24)22(20)27-18-5-4-15-6-8-26-21(15)11-18/h1-6,8,10-11,13-14,26H,7,9H2,(H,25,27)
InChIKeySGTSTQNSJBGBPV-UHFFFAOYSA-N
MW388.86 g/mol
LogP5.46
Rot. Bonds6

About 5-[3-(2-chloroethoxy)phenyl]-4-(1H-indol-6-ylamino)pyridine-3-carbonitrile

5-[3-(2-chloroethoxy)phenyl]-4-(1H-indol-6-ylamino)pyridine-3-carbonitrile (PubChem CID 24865435) has the molecular formula C22H17ClN4O and a molecular weight of 388.86 g/mol. Its IUPAC name is 5-[3-(2-chloroethoxy)phenyl]-4-(1H-indol-6-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[3-(2-chloroethoxy)phenyl]-4-(1H-indol-6-ylamino)pyridine-3-carbonitrile
PubChem CID24865435
Molecular FormulaC22H17ClN4O
Molecular Weight388.86 g/mol
Exact Mass388.11
IUPAC Name5-[3-(2-chloroethoxy)phenyl]-4-(1H-indol-6-ylamino)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(OCCCl)c2)c1Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C22H17ClN4O/c23-7-9-28-19-3-1-2-16(10-19)20-14-25-13-17(12-24)22(20)27-18-5-4-15-6-8-26-21(15)11-18/h1-6,8,10-11,13-14,26H,7,9H2,(H,25,27)
InChIKeySGTSTQNSJBGBPV-UHFFFAOYSA-N
XLogP5.46
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.86
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 24866349
4-(1H-indol-6-ylamino)-5-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile
CID 24865257
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
3-(1H-indol-6-ylamino)-2-methylbenzonitrile
CID 70020979
5-(3,4-dimethoxyphenyl)-4-[(7-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
CID 44573900
4-(2-cyclopropylethoxy)-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 175628729
4-(3,4-dichloroanilino)-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile
CID 24860271
4-(1H-indol-5-ylamino)-2-[2-(3-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-5-carbonitrile
CID 69472392
4-amino-5-(1H-indol-5-yl)pyridine-3-carbonitrile
CID 66921057

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-chloroethoxy)phenyl]-4-(1H-indol-6-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-[3-(2-chloroethoxy)phenyl]-4-(1H-indol-6-ylamino)pyridine-3-carbonitrile (CID 24865435) is 5-[3-(2-chloroethoxy)phenyl]-4-(1H-indol-6-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-[3-(2-chloroethoxy)phenyl]-4-(1H-indol-6-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-[3-(2-chloroethoxy)phenyl]-4-(1H-indol-6-ylamino)pyridine-3-carbonitrile is N#Cc1cncc(-c2cccc(OCCCl)c2)c1Nc1ccc2cc[nH]c2c1.
What is the InChIKey of 5-[3-(2-chloroethoxy)phenyl]-4-(1H-indol-6-ylamino)pyridine-3-carbonitrile?
The InChIKey is SGTSTQNSJBGBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O/c23-7-9-28-19-3-1-2-16(10-19)20-14-25-13-17(12-24)22(20)27-18-5-4-15-6-8-26-21(15)11-18/h1-6,8,10-11,13-14,26H,7,9H2,(H,25,27).
What are the key properties of 5-[3-(2-chloroethoxy)phenyl]-4-(1H-indol-6-ylamino)pyridine-3-carbonitrile?
5-[3-(2-chloroethoxy)phenyl]-4-(1H-indol-6-ylamino)pyridine-3-carbonitrile has a molecular weight of 388.86 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-chloroethoxy)phenyl]-4-(1H-indol-6-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 24865435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).