N-cyclopropyl-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine

C23H26N4 — CID 59455148

IUPACN-cyclopropyl-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine
SMILESC/C(=C\n1c2c(c3cc(NC4CC4)ccc31)CN(C)CC2)c1ccncc1
InChIInChI=1S/C23H26N4/c1-16(17-7-10-24-11-8-17)14-27-22-6-5-19(25-18-3-4-18)13-20(22)21-15-26(2)12-9-23(21)27/h5-8,10-11,13-14,18,25H,3-4,9,12,15H2,1-2H3/b16-14+
InChIKeyOQORFSQDDSTVMG-JQIJEIRASA-N
MW358.49 g/mol
LogP4.62
Rot. Bonds4

About N-cyclopropyl-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine

N-cyclopropyl-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine (PubChem CID 59455148) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine
PubChem CID59455148
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC NameN-cyclopropyl-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine
SMILESC/C(=C\n1c2c(c3cc(NC4CC4)ccc31)CN(C)CC2)c1ccncc1
InChIInChI=1S/C23H26N4/c1-16(17-7-10-24-11-8-17)14-27-22-6-5-19(25-18-3-4-18)13-20(22)21-15-26(2)12-9-23(21)27/h5-8,10-11,13-14,18,25H,3-4,9,12,15H2,1-2H3/b16-14+
InChIKeyOQORFSQDDSTVMG-JQIJEIRASA-N
XLogP4.62
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine?
The IUPAC name of N-cyclopropyl-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine (CID 59455148) is N-cyclopropyl-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine.
What is the SMILES notation for N-cyclopropyl-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine?
The canonical SMILES for N-cyclopropyl-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine is C/C(=C\n1c2c(c3cc(NC4CC4)ccc31)CN(C)CC2)c1ccncc1.
What is the InChIKey of N-cyclopropyl-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine?
The InChIKey is OQORFSQDDSTVMG-JQIJEIRASA-N. The full InChI is InChI=1S/C23H26N4/c1-16(17-7-10-24-11-8-17)14-27-22-6-5-19(25-18-3-4-18)13-20(22)21-15-26(2)12-9-23(21)27/h5-8,10-11,13-14,18,25H,3-4,9,12,15H2,1-2H3/b16-14+.
What are the key properties of N-cyclopropyl-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine?
N-cyclopropyl-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine has a molecular weight of 358.49 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine is sourced from PubChem (CID 59455148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).