N-cyclopropyl-5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide

C24H28N4O2 — CID 90041934

IUPACN-cyclopropyl-5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide
SMILESCc1ccc2c(c1)c1c(n2CC(O)c2ccc(C(=O)NC3CC3)nc2)CCN(C)C1
InChIInChI=1S/C24H28N4O2/c1-15-3-8-21-18(11-15)19-13-27(2)10-9-22(19)28(21)14-23(29)16-4-7-20(25-12-16)24(30)26-17-5-6-17/h3-4,7-8,11-12,17,23,29H,5-6,9-10,13-14H2,1-2H3,(H,26,30)
InChIKeyXSXVNGYWYUYQIQ-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.96
Rot. Bonds5

About N-cyclopropyl-5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide

N-cyclopropyl-5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide (PubChem CID 90041934) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-cyclopropyl-5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide
PubChem CID90041934
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-cyclopropyl-5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide
SMILESCc1ccc2c(c1)c1c(n2CC(O)c2ccc(C(=O)NC3CC3)nc2)CCN(C)C1
InChIInChI=1S/C24H28N4O2/c1-15-3-8-21-18(11-15)19-13-27(2)10-9-22(19)28(21)14-23(29)16-4-7-20(25-12-16)24(30)26-17-5-6-17/h3-4,7-8,11-12,17,23,29H,5-6,9-10,13-14H2,1-2H3,(H,26,30)
InChIKeyXSXVNGYWYUYQIQ-UHFFFAOYSA-N
XLogP2.96
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-cyclopropyl-5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide (CID 90041934) is N-cyclopropyl-5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide is Cc1ccc2c(c1)c1c(n2CC(O)c2ccc(C(=O)NC3CC3)nc2)CCN(C)C1.
What is the InChIKey of N-cyclopropyl-5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide?
The InChIKey is XSXVNGYWYUYQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-15-3-8-21-18(11-15)19-13-27(2)10-9-22(19)28(21)14-23(29)16-4-7-20(25-12-16)24(30)26-17-5-6-17/h3-4,7-8,11-12,17,23,29H,5-6,9-10,13-14H2,1-2H3,(H,26,30).
What are the key properties of N-cyclopropyl-5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide?
N-cyclopropyl-5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide is sourced from PubChem (CID 90041934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).