2,8-dimethyl-5-[(Z)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C21H23N3 — CID 46199734

IUPAC2,8-dimethyl-5-[(Z)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESC/C(=C/n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1
InChIInChI=1S/C21H23N3/c1-15-4-5-20-18(12-15)19-14-23(3)11-8-21(19)24(20)13-16(2)17-6-9-22-10-7-17/h4-7,9-10,12-13H,8,11,14H2,1-3H3/b16-13-
InChIKeyWANJZESOVWFRLC-SSZFMOIBSA-N
MW317.44 g/mol
LogP4.35
Rot. Bonds2

About 2,8-dimethyl-5-[(Z)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

2,8-dimethyl-5-[(Z)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 46199734) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2,8-dimethyl-5-[(Z)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2,8-dimethyl-5-[(Z)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID46199734
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name2,8-dimethyl-5-[(Z)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESC/C(=C/n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1
InChIInChI=1S/C21H23N3/c1-15-4-5-20-18(12-15)19-14-23(3)11-8-21(19)24(20)13-16(2)17-6-9-22-10-7-17/h4-7,9-10,12-13H,8,11,14H2,1-3H3/b16-13-
InChIKeyWANJZESOVWFRLC-SSZFMOIBSA-N
XLogP4.35
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-[(Z)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2,8-dimethyl-5-[(Z)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 46199734) is 2,8-dimethyl-5-[(Z)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2,8-dimethyl-5-[(Z)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2,8-dimethyl-5-[(Z)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is C/C(=C/n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.
What is the InChIKey of 2,8-dimethyl-5-[(Z)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is WANJZESOVWFRLC-SSZFMOIBSA-N. The full InChI is InChI=1S/C21H23N3/c1-15-4-5-20-18(12-15)19-14-23(3)11-8-21(19)24(20)13-16(2)17-6-9-22-10-7-17/h4-7,9-10,12-13H,8,11,14H2,1-3H3/b16-13-.
What are the key properties of 2,8-dimethyl-5-[(Z)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
2,8-dimethyl-5-[(Z)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 317.44 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5-[(Z)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 46199734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).