N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine

C18H22N4 — CID 59522795

IUPACN,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine
SMILESCN1CCC[C@H]1c1cnc2c(c1)c1ccccc1n2N(C)C
InChIInChI=1S/C18H22N4/c1-20(2)22-17-8-5-4-7-14(17)15-11-13(12-19-18(15)22)16-9-6-10-21(16)3/h4-5,7-8,11-12,16H,6,9-10H2,1-3H3/t16-/m0/s1
InChIKeyWTJVIZKOELJXNQ-INIZCTEOSA-N
MW294.40 g/mol
LogP3.15
Rot. Bonds2

About N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine

N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine (PubChem CID 59522795) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine
PubChem CID59522795
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC NameN,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine
SMILESCN1CCC[C@H]1c1cnc2c(c1)c1ccccc1n2N(C)C
InChIInChI=1S/C18H22N4/c1-20(2)22-17-8-5-4-7-14(17)15-11-13(12-19-18(15)22)16-9-6-10-21(16)3/h4-5,7-8,11-12,16H,6,9-10H2,1-3H3/t16-/m0/s1
InChIKeyWTJVIZKOELJXNQ-INIZCTEOSA-N
XLogP3.15
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine?
The IUPAC name of N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine (CID 59522795) is N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine.
What is the SMILES notation for N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine?
The canonical SMILES for N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine is CN1CCC[C@H]1c1cnc2c(c1)c1ccccc1n2N(C)C.
What is the InChIKey of N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine?
The InChIKey is WTJVIZKOELJXNQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N4/c1-20(2)22-17-8-5-4-7-14(17)15-11-13(12-19-18(15)22)16-9-6-10-21(16)3/h4-5,7-8,11-12,16H,6,9-10H2,1-3H3/t16-/m0/s1.
What are the key properties of N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine?
N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine has a molecular weight of 294.40 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine is sourced from PubChem (CID 59522795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).