N-[2-(dimethylamino)ethyl]-14-[3-(dimethylamino)propyl]-4-hydroxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide

C23H30N6O2 — CID 135437173

IUPACN-[2-(dimethylamino)ethyl]-14-[3-(dimethylamino)propyl]-4-hydroxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide
SMILESCN(C)CCCn1nc2c3c(c(C(=O)NCCN(C)C)ccc31)Nc1ccc(O)cc1-2
InChIInChI=1S/C23H30N6O2/c1-27(2)11-5-12-29-19-9-7-16(23(31)24-10-13-28(3)4)21-20(19)22(26-29)17-14-15(30)6-8-18(17)25-21/h6-9,14,25,30H,5,10-13H2,1-4H3,(H,24,31)
InChIKeyZPGVFUYSDZDQAJ-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.71
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-14-[3-(dimethylamino)propyl]-4-hydroxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide

N-[2-(dimethylamino)ethyl]-14-[3-(dimethylamino)propyl]-4-hydroxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide (PubChem CID 135437173) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-14-[3-(dimethylamino)propyl]-4-hydroxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-14-[3-(dimethylamino)propyl]-4-hydroxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide
PubChem CID135437173
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC NameN-[2-(dimethylamino)ethyl]-14-[3-(dimethylamino)propyl]-4-hydroxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide
SMILESCN(C)CCCn1nc2c3c(c(C(=O)NCCN(C)C)ccc31)Nc1ccc(O)cc1-2
InChIInChI=1S/C23H30N6O2/c1-27(2)11-5-12-29-19-9-7-16(23(31)24-10-13-28(3)4)21-20(19)22(26-29)17-14-15(30)6-8-18(17)25-21/h6-9,14,25,30H,5,10-13H2,1-4H3,(H,24,31)
InChIKeyZPGVFUYSDZDQAJ-UHFFFAOYSA-N
XLogP2.71
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)ethyl]-14-[3-(dimethylamino)propyl]-4-hydroxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-14-[3-(dimethylamino)propyl]-4-hydroxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-14-[3-(dimethylamino)propyl]-4-hydroxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide (CID 135437173) is N-[2-(dimethylamino)ethyl]-14-[3-(dimethylamino)propyl]-4-hydroxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-14-[3-(dimethylamino)propyl]-4-hydroxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-14-[3-(dimethylamino)propyl]-4-hydroxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide is CN(C)CCCn1nc2c3c(c(C(=O)NCCN(C)C)ccc31)Nc1ccc(O)cc1-2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-14-[3-(dimethylamino)propyl]-4-hydroxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide?
The InChIKey is ZPGVFUYSDZDQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-27(2)11-5-12-29-19-9-7-16(23(31)24-10-13-28(3)4)21-20(19)22(26-29)17-14-15(30)6-8-18(17)25-21/h6-9,14,25,30H,5,10-13H2,1-4H3,(H,24,31).
What are the key properties of N-[2-(dimethylamino)ethyl]-14-[3-(dimethylamino)propyl]-4-hydroxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide?
N-[2-(dimethylamino)ethyl]-14-[3-(dimethylamino)propyl]-4-hydroxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-14-[3-(dimethylamino)propyl]-4-hydroxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide is sourced from PubChem (CID 135437173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).