4-[[4-(5H-chromeno[2,3-b]pyridin-5-yl)phenyl]iminomethyl]-N,N-dimethylaniline

C27H23N3O — CID 146018607

IUPAC4-[[4-(5H-chromeno[2,3-b]pyridin-5-yl)phenyl]iminomethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/c2ccc(C3c4ccccc4Oc4ncccc43)cc2)cc1
InChIInChI=1S/C27H23N3O/c1-30(2)22-15-9-19(10-16-22)18-29-21-13-11-20(12-14-21)26-23-6-3-4-8-25(23)31-27-24(26)7-5-17-28-27/h3-18,26H,1-2H3/b29-18+
InChIKeyUGCZRNCIKLKFCL-RDRPBHBLSA-N
MW405.50 g/mol
LogP6.18
Rot. Bonds4

About 4-[[4-(5H-chromeno[2,3-b]pyridin-5-yl)phenyl]iminomethyl]-N,N-dimethylaniline

4-[[4-(5H-chromeno[2,3-b]pyridin-5-yl)phenyl]iminomethyl]-N,N-dimethylaniline (PubChem CID 146018607) has the molecular formula C27H23N3O and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-[[4-(5H-chromeno[2,3-b]pyridin-5-yl)phenyl]iminomethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(5H-chromeno[2,3-b]pyridin-5-yl)phenyl]iminomethyl]-N,N-dimethylaniline
PubChem CID146018607
Molecular FormulaC27H23N3O
Molecular Weight405.50 g/mol
Exact Mass405.18
IUPAC Name4-[[4-(5H-chromeno[2,3-b]pyridin-5-yl)phenyl]iminomethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/c2ccc(C3c4ccccc4Oc4ncccc43)cc2)cc1
InChIInChI=1S/C27H23N3O/c1-30(2)22-15-9-19(10-16-22)18-29-21-13-11-20(12-14-21)26-23-6-3-4-8-25(23)31-27-24(26)7-5-17-28-27/h3-18,26H,1-2H3/b29-18+
InChIKeyUGCZRNCIKLKFCL-RDRPBHBLSA-N
XLogP6.18
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-(pyridin-2-ylmethylideneamino)aniline
CID 20740795
N,N-dimethyl-4-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]aniline
CID 19580278
N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline
CID 23965821
4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
CID 3748752
4-[(3-iodo-4-methylphenyl)iminomethyl]-N,N-dimethylaniline
CID 1381576
1-[(4R)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]-N-phenylmethanimine
CID 40544814
[4-[4-[[4-(dimethylamino)phenyl]iminomethyl]phenyl]piperidin-1-yl]methanedithiol
CID 58131371
4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline
CID 45258388
1-(4-chlorophenyl)-N-[4-(10-ethyl-9H-acridin-9-yl)phenyl]methanimine
CID 3746391
N,N-dimethyl-4-(quinolin-4-ylmethylideneamino)aniline
CID 53315578
1-(2,4-diphenyl-4H-chromen-3-yl)-N-phenylmethanimine
CID 2853172
2-(benzylideneamino)-7-(dimethylamino)-4-phenyl-4H-chromene-3-carbonitrile
CID 69001597

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5H-chromeno[2,3-b]pyridin-5-yl)phenyl]iminomethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(5H-chromeno[2,3-b]pyridin-5-yl)phenyl]iminomethyl]-N,N-dimethylaniline (CID 146018607) is 4-[[4-(5H-chromeno[2,3-b]pyridin-5-yl)phenyl]iminomethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(5H-chromeno[2,3-b]pyridin-5-yl)phenyl]iminomethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(5H-chromeno[2,3-b]pyridin-5-yl)phenyl]iminomethyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=N/c2ccc(C3c4ccccc4Oc4ncccc43)cc2)cc1.
What is the InChIKey of 4-[[4-(5H-chromeno[2,3-b]pyridin-5-yl)phenyl]iminomethyl]-N,N-dimethylaniline?
The InChIKey is UGCZRNCIKLKFCL-RDRPBHBLSA-N. The full InChI is InChI=1S/C27H23N3O/c1-30(2)22-15-9-19(10-16-22)18-29-21-13-11-20(12-14-21)26-23-6-3-4-8-25(23)31-27-24(26)7-5-17-28-27/h3-18,26H,1-2H3/b29-18+.
What are the key properties of 4-[[4-(5H-chromeno[2,3-b]pyridin-5-yl)phenyl]iminomethyl]-N,N-dimethylaniline?
4-[[4-(5H-chromeno[2,3-b]pyridin-5-yl)phenyl]iminomethyl]-N,N-dimethylaniline has a molecular weight of 405.50 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5H-chromeno[2,3-b]pyridin-5-yl)phenyl]iminomethyl]-N,N-dimethylaniline is sourced from PubChem (CID 146018607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).