acetic acid;1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine

C15H17N3O2 — CID 5284473

IUPACacetic acid;1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine
SMILESCC(=O)O.Cc1c(N)nc(C)c2c1[nH]c1ccccc12
InChIInChI=1S/C13H13N3.C2H4O2/c1-7-12-11(8(2)15-13(7)14)9-5-3-4-6-10(9)16-12;1-2(3)4/h3-6,16H,1-2H3,(H2,14,15);1H3,(H,3,4)
InChIKeyUXNRBAJNAWIPGF-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.01
Rot. Bonds

About acetic acid;1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine

acetic acid;1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine (PubChem CID 5284473) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is acetic acid;1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine.

Molecular Properties

Compound Nameacetic acid;1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine
PubChem CID5284473
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Nameacetic acid;1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine
SMILESCC(=O)O.Cc1c(N)nc(C)c2c1[nH]c1ccccc12
InChIInChI=1S/C13H13N3.C2H4O2/c1-7-12-11(8(2)15-13(7)14)9-5-3-4-6-10(9)16-12;1-2(3)4/h3-6,16H,1-2H3,(H2,14,15);1H3,(H,3,4)
InChIKeyUXNRBAJNAWIPGF-UHFFFAOYSA-N
XLogP3.01
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine?
The IUPAC name of acetic acid;1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine (CID 5284473) is acetic acid;1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine.
What is the SMILES notation for acetic acid;1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine?
The canonical SMILES for acetic acid;1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine is CC(=O)O.Cc1c(N)nc(C)c2c1[nH]c1ccccc12.
What is the InChIKey of acetic acid;1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine?
The InChIKey is UXNRBAJNAWIPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3.C2H4O2/c1-7-12-11(8(2)15-13(7)14)9-5-3-4-6-10(9)16-12;1-2(3)4/h3-6,16H,1-2H3,(H2,14,15);1H3,(H,3,4).
What are the key properties of acetic acid;1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine?
acetic acid;1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine has a molecular weight of 271.32 g/mol, XLogP of 3.01, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine is sourced from PubChem (CID 5284473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).