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

C22H18N4O2 — CID 24770517

IUPAC5-(3,4-dimethoxyphenyl)-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2)cc1OC
InChIInChI=1S/C22H18N4O2/c1-27-20-6-3-14(10-21(20)28-2)18-13-24-12-16(11-23)22(18)26-17-4-5-19-15(9-17)7-8-25-19/h3-10,12-13,25H,1-2H3,(H,24,26)
InChIKeyKPDRLZMGHJWHQC-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.86
Rot. Bonds5

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

5-(3,4-dimethoxyphenyl)-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile (PubChem CID 24770517) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile
PubChem CID24770517
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name5-(3,4-dimethoxyphenyl)-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2)cc1OC
InChIInChI=1S/C22H18N4O2/c1-27-20-6-3-14(10-21(20)28-2)18-13-24-12-16(11-23)22(18)26-17-4-5-19-15(9-17)7-8-25-19/h3-10,12-13,25H,1-2H3,(H,24,26)
InChIKeyKPDRLZMGHJWHQC-UHFFFAOYSA-N
XLogP4.86
TPSA82.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile (CID 24770517) is 5-(3,4-dimethoxyphenyl)-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile is COc1ccc(-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile?
The InChIKey is KPDRLZMGHJWHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-27-20-6-3-14(10-21(20)28-2)18-13-24-12-16(11-23)22(18)26-17-4-5-19-15(9-17)7-8-25-19/h3-10,12-13,25H,1-2H3,(H,24,26).
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile?
5-(3,4-dimethoxyphenyl)-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile has a molecular weight of 370.41 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 24770517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).