4-[(6-chloro-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile

C22H15ClN4 — CID 45484979

IUPAC4-[(6-chloro-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(/C=C/c2ccccc2)c1Nc1cc2cc[nH]c2cc1Cl
InChIInChI=1S/C22H15ClN4/c23-19-11-20-16(8-9-26-20)10-21(19)27-22-17(13-25-14-18(22)12-24)7-6-15-4-2-1-3-5-15/h1-11,13-14,26H,(H,25,27)/b7-6+
InChIKeyKAWMNMBJDDWUNT-VOTSOKGWSA-N
MW370.84 g/mol
LogP6.00
Rot. Bonds4

About 4-[(6-chloro-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile

4-[(6-chloro-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile (PubChem CID 45484979) has the molecular formula C22H15ClN4 and a molecular weight of 370.84 g/mol. Its IUPAC name is 4-[(6-chloro-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(6-chloro-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile
PubChem CID45484979
Molecular FormulaC22H15ClN4
Molecular Weight370.84 g/mol
Exact Mass370.10
IUPAC Name4-[(6-chloro-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(/C=C/c2ccccc2)c1Nc1cc2cc[nH]c2cc1Cl
InChIInChI=1S/C22H15ClN4/c23-19-11-20-16(8-9-26-20)10-21(19)27-22-17(13-25-14-18(22)12-24)7-6-15-4-2-1-3-5-15/h1-11,13-14,26H,(H,25,27)/b7-6+
InChIKeyKAWMNMBJDDWUNT-VOTSOKGWSA-N
XLogP6.00
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.84
LogP ≤ 56.00
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
5-Vinyl-3-pyridinecarbonitrile, 16
CID 44251908
5-Vinyl-3-pyridinecarbonitrile, 18
CID 44252050
5-Vinyl-3-pyridinecarbonitrile, 14a
CID 44253797
5-Vinyl-3-pyridinecarbonitrile, 4a
CID 44473005
5-Vinyl-3-pyridinecarbonitrile, 4b
CID 44473006
5-Vinyl-3-pyridinecarbonitrile, 4c
CID 44473007
5-Vinyl-3-pyridinecarbonitrile, 14c
CID 44473012
4-(1H-indol-5-ylamino)-5-styrylnicotinonitrile
CID 45485012
3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile
CID 44466344
4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-1H-indole
CID 2729517

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-[(6-chloro-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile (CID 45484979) is 4-[(6-chloro-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(6-chloro-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(6-chloro-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile is N#Cc1cncc(/C=C/c2ccccc2)c1Nc1cc2cc[nH]c2cc1Cl.
What is the InChIKey of 4-[(6-chloro-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
The InChIKey is KAWMNMBJDDWUNT-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H15ClN4/c23-19-11-20-16(8-9-26-20)10-21(19)27-22-17(13-25-14-18(22)12-24)7-6-15-4-2-1-3-5-15/h1-11,13-14,26H,(H,25,27)/b7-6+.
What are the key properties of 4-[(6-chloro-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
4-[(6-chloro-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile has a molecular weight of 370.84 g/mol, XLogP of 6.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 45484979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).