N-cyclopropyl-8-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide

C18H23N3O — CID 113089438

IUPACN-cyclopropyl-8-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
SMILESCC(C)c1ccc2[nH]c3c(c2c1)CN(C(=O)NC1CC1)CC3
InChIInChI=1S/C18H23N3O/c1-11(2)12-3-6-16-14(9-12)15-10-21(8-7-17(15)20-16)18(22)19-13-4-5-13/h3,6,9,11,13,20H,4-5,7-8,10H2,1-2H3,(H,19,22)
InChIKeyDQDXNQCPTFCDJF-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.52
Rot. Bonds2

About N-cyclopropyl-8-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide

N-cyclopropyl-8-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide (PubChem CID 113089438) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-cyclopropyl-8-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-8-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
PubChem CID113089438
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-cyclopropyl-8-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
SMILESCC(C)c1ccc2[nH]c3c(c2c1)CN(C(=O)NC1CC1)CC3
InChIInChI=1S/C18H23N3O/c1-11(2)12-3-6-16-14(9-12)15-10-21(8-7-17(15)20-16)18(22)19-13-4-5-13/h3,6,9,11,13,20H,4-5,7-8,10H2,1-2H3,(H,19,22)
InChIKeyDQDXNQCPTFCDJF-UHFFFAOYSA-N
XLogP3.52
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-8-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The IUPAC name of N-cyclopropyl-8-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide (CID 113089438) is N-cyclopropyl-8-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-8-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-8-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide is CC(C)c1ccc2[nH]c3c(c2c1)CN(C(=O)NC1CC1)CC3.
What is the InChIKey of N-cyclopropyl-8-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The InChIKey is DQDXNQCPTFCDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-11(2)12-3-6-16-14(9-12)15-10-21(8-7-17(15)20-16)18(22)19-13-4-5-13/h3,6,9,11,13,20H,4-5,7-8,10H2,1-2H3,(H,19,22).
What are the key properties of N-cyclopropyl-8-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
N-cyclopropyl-8-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide is sourced from PubChem (CID 113089438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).