N-(2-methylpropyl)-N-pyridin-4-ylindol-1-amine;N-pentyl-N-pyridin-4-ylindol-1-amine;N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine;4-pyridin-2-ylindol-1-amine

C64H64N12 — CID 158654131

IUPACN-(2-methylpropyl)-N-pyridin-4-ylindol-1-amine;N-pentyl-N-pyridin-4-ylindol-1-amine;N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine;4-pyridin-2-ylindol-1-amine
SMILESC#CCN(c1ccncc1)n1ccc2ccccc21.CC(C)CN(c1ccncc1)n1ccc2ccccc21.CCCCCN(c1ccncc1)n1ccc2ccccc21.Nn1ccc2c(-c3ccccn3)cccc21
InChIInChI=1S/C18H21N3.C17H19N3.C16H13N3.C13H11N3/c1-2-3-6-14-20(17-9-12-19-13-10-17)21-15-11-16-7-4-5-8-18(16)21;1-14(2)13-20(16-7-10-18-11-8-16)19-12-9-15-5-3-4-6-17(15)19;1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19;14-16-9-7-11-10(4-3-6-13(11)16)12-5-1-2-8-15-12/h4-5,7-13,15H,2-3,6,14H2,1H3;3-12,14H,13H2,1-2H3;1,3-11,13H,12H2;1-9H,14H2
InChIKeyIBXMWNTZWNVKDQ-UHFFFAOYSA-N
MW1001.30 g/mol
LogP13.81
Rot. Bonds14

About N-(2-methylpropyl)-N-pyridin-4-ylindol-1-amine;N-pentyl-N-pyridin-4-ylindol-1-amine;N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine;4-pyridin-2-ylindol-1-amine

N-(2-methylpropyl)-N-pyridin-4-ylindol-1-amine;N-pentyl-N-pyridin-4-ylindol-1-amine;N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine;4-pyridin-2-ylindol-1-amine (PubChem CID 158654131) has the molecular formula C64H64N12 and a molecular weight of 1001.30 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-pyridin-4-ylindol-1-amine;N-pentyl-N-pyridin-4-ylindol-1-amine;N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine;4-pyridin-2-ylindol-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-pyridin-4-ylindol-1-amine;N-pentyl-N-pyridin-4-ylindol-1-amine;N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine;4-pyridin-2-ylindol-1-amine
PubChem CID158654131
Molecular FormulaC64H64N12
Molecular Weight1001.30 g/mol
Exact Mass1000.54
IUPAC NameN-(2-methylpropyl)-N-pyridin-4-ylindol-1-amine;N-pentyl-N-pyridin-4-ylindol-1-amine;N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine;4-pyridin-2-ylindol-1-amine
SMILESC#CCN(c1ccncc1)n1ccc2ccccc21.CC(C)CN(c1ccncc1)n1ccc2ccccc21.CCCCCN(c1ccncc1)n1ccc2ccccc21.Nn1ccc2c(-c3ccccn3)cccc21
InChIInChI=1S/C18H21N3.C17H19N3.C16H13N3.C13H11N3/c1-2-3-6-14-20(17-9-12-19-13-10-17)21-15-11-16-7-4-5-8-18(16)21;1-14(2)13-20(16-7-10-18-11-8-16)19-12-9-15-5-3-4-6-17(15)19;1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19;14-16-9-7-11-10(4-3-6-13(11)16)12-5-1-2-8-15-12/h4-5,7-13,15H,2-3,6,14H2,1H3;3-12,14H,13H2,1-2H3;1,3-11,13H,12H2;1-9H,14H2
InChIKeyIBXMWNTZWNVKDQ-UHFFFAOYSA-N
XLogP13.81
TPSA107.02 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001001.30
LogP ≤ 513.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-pyridin-4-ylindol-1-amine;N-pentyl-N-pyridin-4-ylindol-1-amine;N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine;4-pyridin-2-ylindol-1-amine?
The IUPAC name of N-(2-methylpropyl)-N-pyridin-4-ylindol-1-amine;N-pentyl-N-pyridin-4-ylindol-1-amine;N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine;4-pyridin-2-ylindol-1-amine (CID 158654131) is N-(2-methylpropyl)-N-pyridin-4-ylindol-1-amine;N-pentyl-N-pyridin-4-ylindol-1-amine;N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine;4-pyridin-2-ylindol-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-pyridin-4-ylindol-1-amine;N-pentyl-N-pyridin-4-ylindol-1-amine;N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine;4-pyridin-2-ylindol-1-amine?
The canonical SMILES for N-(2-methylpropyl)-N-pyridin-4-ylindol-1-amine;N-pentyl-N-pyridin-4-ylindol-1-amine;N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine;4-pyridin-2-ylindol-1-amine is C#CCN(c1ccncc1)n1ccc2ccccc21.CC(C)CN(c1ccncc1)n1ccc2ccccc21.CCCCCN(c1ccncc1)n1ccc2ccccc21.Nn1ccc2c(-c3ccccn3)cccc21.
What is the InChIKey of N-(2-methylpropyl)-N-pyridin-4-ylindol-1-amine;N-pentyl-N-pyridin-4-ylindol-1-amine;N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine;4-pyridin-2-ylindol-1-amine?
The InChIKey is IBXMWNTZWNVKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3.C17H19N3.C16H13N3.C13H11N3/c1-2-3-6-14-20(17-9-12-19-13-10-17)21-15-11-16-7-4-5-8-18(16)21;1-14(2)13-20(16-7-10-18-11-8-16)19-12-9-15-5-3-4-6-17(15)19;1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19;14-16-9-7-11-10(4-3-6-13(11)16)12-5-1-2-8-15-12/h4-5,7-13,15H,2-3,6,14H2,1H3;3-12,14H,13H2,1-2H3;1,3-11,13H,12H2;1-9H,14H2.
What are the key properties of N-(2-methylpropyl)-N-pyridin-4-ylindol-1-amine;N-pentyl-N-pyridin-4-ylindol-1-amine;N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine;4-pyridin-2-ylindol-1-amine?
N-(2-methylpropyl)-N-pyridin-4-ylindol-1-amine;N-pentyl-N-pyridin-4-ylindol-1-amine;N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine;4-pyridin-2-ylindol-1-amine has a molecular weight of 1001.30 g/mol, XLogP of 13.81, 14 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-pyridin-4-ylindol-1-amine;N-pentyl-N-pyridin-4-ylindol-1-amine;N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine;4-pyridin-2-ylindol-1-amine is sourced from PubChem (CID 158654131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).