3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-2-pyridin-4-ylpropanamide

C23H28N4O — CID 71275661

IUPAC3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-2-pyridin-4-ylpropanamide
SMILESCc1ccc2c(c1)c1c(n2CC(C(=O)N(C)C)c2ccncc2)CCN(C)C1
InChIInChI=1S/C23H28N4O/c1-16-5-6-21-18(13-16)20-14-26(4)12-9-22(20)27(21)15-19(23(28)25(2)3)17-7-10-24-11-8-17/h5-8,10-11,13,19H,9,12,14-15H2,1-4H3
InChIKeyFOPWMJSNVCFKEV-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.20
Rot. Bonds4

About 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-2-pyridin-4-ylpropanamide

3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-2-pyridin-4-ylpropanamide (PubChem CID 71275661) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-2-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-2-pyridin-4-ylpropanamide
PubChem CID71275661
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-2-pyridin-4-ylpropanamide
SMILESCc1ccc2c(c1)c1c(n2CC(C(=O)N(C)C)c2ccncc2)CCN(C)C1
InChIInChI=1S/C23H28N4O/c1-16-5-6-21-18(13-16)20-14-26(4)12-9-22(20)27(21)15-19(23(28)25(2)3)17-7-10-24-11-8-17/h5-8,10-11,13,19H,9,12,14-15H2,1-4H3
InChIKeyFOPWMJSNVCFKEV-UHFFFAOYSA-N
XLogP3.20
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-2-pyridin-4-ylpropanamide?
The IUPAC name of 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-2-pyridin-4-ylpropanamide (CID 71275661) is 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-2-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-2-pyridin-4-ylpropanamide?
The canonical SMILES for 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-2-pyridin-4-ylpropanamide is Cc1ccc2c(c1)c1c(n2CC(C(=O)N(C)C)c2ccncc2)CCN(C)C1.
What is the InChIKey of 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-2-pyridin-4-ylpropanamide?
The InChIKey is FOPWMJSNVCFKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-16-5-6-21-18(13-16)20-14-26(4)12-9-22(20)27(21)15-19(23(28)25(2)3)17-7-10-24-11-8-17/h5-8,10-11,13,19H,9,12,14-15H2,1-4H3.
What are the key properties of 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-2-pyridin-4-ylpropanamide?
3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-2-pyridin-4-ylpropanamide has a molecular weight of 376.50 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-2-pyridin-4-ylpropanamide is sourced from PubChem (CID 71275661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).