N,N-diethyl-6-methylidene-9-pyridin-3-ylxanthen-3-amine

C23H22N2O — CID 146319584

IUPACN,N-diethyl-6-methylidene-9-pyridin-3-ylxanthen-3-amine
SMILESC=c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C=2c1cccnc1
InChIInChI=1S/C23H22N2O/c1-4-25(5-2)18-9-11-20-22(14-18)26-21-13-16(3)8-10-19(21)23(20)17-7-6-12-24-15-17/h6-15H,3-5H2,1-2H3
InChIKeyXBDOCLJQOQUWLP-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.69
Rot. Bonds4

About N,N-diethyl-6-methylidene-9-pyridin-3-ylxanthen-3-amine

N,N-diethyl-6-methylidene-9-pyridin-3-ylxanthen-3-amine (PubChem CID 146319584) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is N,N-diethyl-6-methylidene-9-pyridin-3-ylxanthen-3-amine.

Molecular Properties

Compound NameN,N-diethyl-6-methylidene-9-pyridin-3-ylxanthen-3-amine
PubChem CID146319584
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC NameN,N-diethyl-6-methylidene-9-pyridin-3-ylxanthen-3-amine
SMILESC=c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C=2c1cccnc1
InChIInChI=1S/C23H22N2O/c1-4-25(5-2)18-9-11-20-22(14-18)26-21-13-16(3)8-10-19(21)23(20)17-7-6-12-24-15-17/h6-15H,3-5H2,1-2H3
InChIKeyXBDOCLJQOQUWLP-UHFFFAOYSA-N
XLogP3.69
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-6-methylidene-9-(4-methylphenyl)xanthen-3-amine
CID 146319603
2-[3-(diethylamino)-6-methylidenexanthen-9-yl]-5-sulfinobenzenesulfonic acid
CID 130357980
9-(4-aminophenyl)-N,N-dimethyl-6-methylidenexanthen-3-amine
CID 21053809
7-(diethylamino)-3-pyridin-3-ylchromen-2-one
CID 89474400
2-[3-(diethylamino)-6-methylidenexanthen-9-yl]-5-[[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]benzenesulfonic acid
CID 118263539
5-[3,6-bis(diethylamino)xanthen-9-ylidene]benzotriazole-4-carboxylic acid
CID 122174015
N,N-diethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline;2,2,2-trifluoroacetic acid
CID 69242057
5-chlorosulfonyl-2-[3-(diethylamino)-6-pentan-3-ylidenexanthen-9-yl]benzenesulfonic acid
CID 59561742
N,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine
CID 154759721
N,N-diethyl-4-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)diazenyl]aniline
CID 136678230
carbanide;N,N-diethyl-6-methylidene-9-phenylxanthen-3-amine;3-[[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]sulfonylamino]propyl 2,2-dimethylbutanoate;3-(ethylamino)propyl 2,2-dimethylbutanoate;methanesulfonate;[4-[(4-methylphenyl)diazenyl]phenyl] 2,2-dimethylbutanoate;tungsten(2+)
CID 162225791
1,1-bis[2-(chloromethyl)-4-(diethylamino)phenyl]furo[3,4-c]pyridin-3-one
CID 139642810

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-methylidene-9-pyridin-3-ylxanthen-3-amine?
The IUPAC name of N,N-diethyl-6-methylidene-9-pyridin-3-ylxanthen-3-amine (CID 146319584) is N,N-diethyl-6-methylidene-9-pyridin-3-ylxanthen-3-amine.
What is the SMILES notation for N,N-diethyl-6-methylidene-9-pyridin-3-ylxanthen-3-amine?
The canonical SMILES for N,N-diethyl-6-methylidene-9-pyridin-3-ylxanthen-3-amine is C=c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C=2c1cccnc1.
What is the InChIKey of N,N-diethyl-6-methylidene-9-pyridin-3-ylxanthen-3-amine?
The InChIKey is XBDOCLJQOQUWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-4-25(5-2)18-9-11-20-22(14-18)26-21-13-16(3)8-10-19(21)23(20)17-7-6-12-24-15-17/h6-15H,3-5H2,1-2H3.
What are the key properties of N,N-diethyl-6-methylidene-9-pyridin-3-ylxanthen-3-amine?
N,N-diethyl-6-methylidene-9-pyridin-3-ylxanthen-3-amine has a molecular weight of 342.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-methylidene-9-pyridin-3-ylxanthen-3-amine is sourced from PubChem (CID 146319584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).