4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile

C23H17ClN4 — CID 45484989

IUPAC4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile
SMILESCc1c(Nc2c(C#N)cncc2/C=C/c2ccccc2)cc(Cl)c2[nH]ccc12
InChIInChI=1S/C23H17ClN4/c1-15-19-9-10-27-23(19)20(24)11-21(15)28-22-17(13-26-14-18(22)12-25)8-7-16-5-3-2-4-6-16/h2-11,13-14,27H,1H3,(H,26,28)/b8-7+
InChIKeyQEQRMPXQCBZMSU-BQYQJAHWSA-N
MW384.87 g/mol
LogP6.31
Rot. Bonds4

About 4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile

4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile (PubChem CID 45484989) has the molecular formula C23H17ClN4 and a molecular weight of 384.87 g/mol. Its IUPAC name is 4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile
PubChem CID45484989
Molecular FormulaC23H17ClN4
Molecular Weight384.87 g/mol
Exact Mass384.11
IUPAC Name4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile
SMILESCc1c(Nc2c(C#N)cncc2/C=C/c2ccccc2)cc(Cl)c2[nH]ccc12
InChIInChI=1S/C23H17ClN4/c1-15-19-9-10-27-23(19)20(24)11-21(15)28-22-17(13-26-14-18(22)12-25)8-7-16-5-3-2-4-6-16/h2-11,13-14,27H,1H3,(H,26,28)/b8-7+
InChIKeyQEQRMPXQCBZMSU-BQYQJAHWSA-N
XLogP6.31
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.87
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Vinyl-3-pyridinecarbonitrile, 14b
CID 44473011
8-Chloro-4-(3-chloro-4-fluorophenylamino)-6-(pyridin-3-ylmethylamino)quinoline-3-carbonitrile
CID 17758358
8-Chloro-4-(3-chloro-4-fluorophenylamino)-6-((6-methylpyridin-2-yl)methylamino)quinoline-3-carbonitrile
CID 17759786
5-Vinyl-3-pyridinecarbonitrile, 19
CID 44160269
5-Vinyl-3-pyridinecarbonitrile, 13a
CID 44251637
5-Vinyl-3-pyridinecarbonitrile, 12c
CID 44251778
5-Vinyl-3-pyridinecarbonitrile, 22
CID 44251905
5-Vinyl-3-pyridinecarbonitrile, 21
CID 44251906
5-Vinyl-3-pyridinecarbonitrile, 36
CID 44251907
5-Vinyl-3-pyridinecarbonitrile, 16
CID 44251908
5-Vinyl-3-pyridinecarbonitrile, 20
CID 44252049
5-Vinyl-3-pyridinecarbonitrile, 18
CID 44252050

Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile (CID 45484989) is 4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile is Cc1c(Nc2c(C#N)cncc2/C=C/c2ccccc2)cc(Cl)c2[nH]ccc12.
What is the InChIKey of 4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
The InChIKey is QEQRMPXQCBZMSU-BQYQJAHWSA-N. The full InChI is InChI=1S/C23H17ClN4/c1-15-19-9-10-27-23(19)20(24)11-21(15)28-22-17(13-26-14-18(22)12-25)8-7-16-5-3-2-4-6-16/h2-11,13-14,27H,1H3,(H,26,28)/b8-7+.
What are the key properties of 4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile has a molecular weight of 384.87 g/mol, XLogP of 6.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 45484989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).