N-[[1-(pyridin-3-ylmethyl)indol-5-yl]methylideneamino]aniline

C21H18N4 — CID 169383159

IUPACN-[[1-(pyridin-3-ylmethyl)indol-5-yl]methylideneamino]aniline
SMILESC(=NNc1ccccc1)c1ccc2c(ccn2Cc2cccnc2)c1
InChIInChI=1S/C21H18N4/c1-2-6-20(7-3-1)24-23-15-17-8-9-21-19(13-17)10-12-25(21)16-18-5-4-11-22-14-18/h1-15,24H,16H2
InChIKeyUPQRIVHZZQFAEJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.53
Rot. Bonds5

About N-[[1-(pyridin-3-ylmethyl)indol-5-yl]methylideneamino]aniline

N-[[1-(pyridin-3-ylmethyl)indol-5-yl]methylideneamino]aniline (PubChem CID 169383159) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[[1-(pyridin-3-ylmethyl)indol-5-yl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[1-(pyridin-3-ylmethyl)indol-5-yl]methylideneamino]aniline
PubChem CID169383159
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC NameN-[[1-(pyridin-3-ylmethyl)indol-5-yl]methylideneamino]aniline
SMILESC(=NNc1ccccc1)c1ccc2c(ccn2Cc2cccnc2)c1
InChIInChI=1S/C21H18N4/c1-2-6-20(7-3-1)24-23-15-17-8-9-21-19(13-17)10-12-25(21)16-18-5-4-11-22-14-18/h1-15,24H,16H2
InChIKeyUPQRIVHZZQFAEJ-UHFFFAOYSA-N
XLogP4.53
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[1-(pyridin-3-ylmethyl)indol-6-yl]methylideneamino]thiourea
CID 168535539
5-methyl-1-(pyridin-3-ylmethyl)indole
CID 116622934
N-[(Z)-pyridin-3-ylmethylideneamino]aniline
CID 5375484
1-benzyl-5-ethenylindole
CID 71373149
N-[[1-[(2-fluorophenyl)methyl]indol-6-yl]methylideneamino]aniline
CID 169383155
N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126254481
2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626932
[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea
CID 126247362
N-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide
CID 4273821
1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-(4-phenoxyphenyl)methanimine
CID 126256315
N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylideneamino]aniline
CID 169383917
1-(5-chloro-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea
CID 58703424

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridin-3-ylmethyl)indol-5-yl]methylideneamino]aniline?
The IUPAC name of N-[[1-(pyridin-3-ylmethyl)indol-5-yl]methylideneamino]aniline (CID 169383159) is N-[[1-(pyridin-3-ylmethyl)indol-5-yl]methylideneamino]aniline.
What is the SMILES notation for N-[[1-(pyridin-3-ylmethyl)indol-5-yl]methylideneamino]aniline?
The canonical SMILES for N-[[1-(pyridin-3-ylmethyl)indol-5-yl]methylideneamino]aniline is C(=NNc1ccccc1)c1ccc2c(ccn2Cc2cccnc2)c1.
What is the InChIKey of N-[[1-(pyridin-3-ylmethyl)indol-5-yl]methylideneamino]aniline?
The InChIKey is UPQRIVHZZQFAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-2-6-20(7-3-1)24-23-15-17-8-9-21-19(13-17)10-12-25(21)16-18-5-4-11-22-14-18/h1-15,24H,16H2.
What are the key properties of N-[[1-(pyridin-3-ylmethyl)indol-5-yl]methylideneamino]aniline?
N-[[1-(pyridin-3-ylmethyl)indol-5-yl]methylideneamino]aniline has a molecular weight of 326.40 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridin-3-ylmethyl)indol-5-yl]methylideneamino]aniline is sourced from PubChem (CID 169383159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).