N-butyl-6-chloro-9H-pyrido[2,3-b]indol-4-amine

C15H16ClN3 — CID 44580682

IUPACN-butyl-6-chloro-9H-pyrido[2,3-b]indol-4-amine
SMILESCCCCNc1ccnc2[nH]c3ccc(Cl)cc3c12
InChIInChI=1S/C15H16ClN3/c1-2-3-7-17-13-6-8-18-15-14(13)11-9-10(16)4-5-12(11)19-15/h4-6,8-9H,2-3,7H2,1H3,(H2,17,18,19)
InChIKeyVHCQVQFTWLOBLT-UHFFFAOYSA-N
MW273.77 g/mol
LogP4.58
Rot. Bonds4

About N-butyl-6-chloro-9H-pyrido[2,3-b]indol-4-amine

N-butyl-6-chloro-9H-pyrido[2,3-b]indol-4-amine (PubChem CID 44580682) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is N-butyl-6-chloro-9H-pyrido[2,3-b]indol-4-amine.

Molecular Properties

Compound NameN-butyl-6-chloro-9H-pyrido[2,3-b]indol-4-amine
PubChem CID44580682
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC NameN-butyl-6-chloro-9H-pyrido[2,3-b]indol-4-amine
SMILESCCCCNc1ccnc2[nH]c3ccc(Cl)cc3c12
InChIInChI=1S/C15H16ClN3/c1-2-3-7-17-13-6-8-18-15-14(13)11-9-10(16)4-5-12(11)19-15/h4-6,8-9H,2-3,7H2,1H3,(H2,17,18,19)
InChIKeyVHCQVQFTWLOBLT-UHFFFAOYSA-N
XLogP4.58
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-chloro-9H-pyrido[2,3-b]indol-4-amine?
The IUPAC name of N-butyl-6-chloro-9H-pyrido[2,3-b]indol-4-amine (CID 44580682) is N-butyl-6-chloro-9H-pyrido[2,3-b]indol-4-amine.
What is the SMILES notation for N-butyl-6-chloro-9H-pyrido[2,3-b]indol-4-amine?
The canonical SMILES for N-butyl-6-chloro-9H-pyrido[2,3-b]indol-4-amine is CCCCNc1ccnc2[nH]c3ccc(Cl)cc3c12.
What is the InChIKey of N-butyl-6-chloro-9H-pyrido[2,3-b]indol-4-amine?
The InChIKey is VHCQVQFTWLOBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-2-3-7-17-13-6-8-18-15-14(13)11-9-10(16)4-5-12(11)19-15/h4-6,8-9H,2-3,7H2,1H3,(H2,17,18,19).
What are the key properties of N-butyl-6-chloro-9H-pyrido[2,3-b]indol-4-amine?
N-butyl-6-chloro-9H-pyrido[2,3-b]indol-4-amine has a molecular weight of 273.77 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-chloro-9H-pyrido[2,3-b]indol-4-amine is sourced from PubChem (CID 44580682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).