N-[2-(dimethylamino)ethyl]-4-methoxy-14-(2-piperidin-1-ylethyl)-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

C26H34N6O2 — CID 135471613

IUPACN-[2-(dimethylamino)ethyl]-4-methoxy-14-(2-piperidin-1-ylethyl)-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
SMILESCOc1ccc2c(c1)-c1nn(CCN3CCCCC3)c3ccc(C(=O)NCCN(C)C)c(c13)N2
InChIInChI=1S/C26H34N6O2/c1-30(2)14-11-27-26(33)19-8-10-22-23-24(19)28-21-9-7-18(34-3)17-20(21)25(23)29-32(22)16-15-31-12-5-4-6-13-31/h7-10,17,28H,4-6,11-16H2,1-3H3,(H,27,33)
InChIKeyONQGUPRWUAJCTD-UHFFFAOYSA-N
MW462.60 g/mol
LogP3.55
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-4-methoxy-14-(2-piperidin-1-ylethyl)-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]-4-methoxy-14-(2-piperidin-1-ylethyl)-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 135471613) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-methoxy-14-(2-piperidin-1-ylethyl)-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]-4-methoxy-14-(2-piperidin-1-ylethyl)-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 CID135471613
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC NameN-[2-(dimethylamino)ethyl]-4-methoxy-14-(2-piperidin-1-ylethyl)-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
SMILESCOc1ccc2c(c1)-c1nn(CCN3CCCCC3)c3ccc(C(=O)NCCN(C)C)c(c13)N2
InChIInChI=1S/C26H34N6O2/c1-30(2)14-11-27-26(33)19-8-10-22-23-24(19)28-21-9-7-18(34-3)17-20(21)25(23)29-32(22)16-15-31-12-5-4-6-13-31/h7-10,17,28H,4-6,11-16H2,1-3H3,(H,27,33)
InChIKeyONQGUPRWUAJCTD-UHFFFAOYSA-N
XLogP3.55
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(dimethylamino)ethyl]-4-methoxy-14-(2-piperidin-1-ylethyl)-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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Related Compounds

16-[2-(Dimethylamino)ethyl]-5-methoxy-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione
CID 404464
16-[2-(Dimethylamino)ethyl]-5-methoxy-10-(2-pyrrolidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione
CID 10939683
10-(2-Aminoethylamino)-14-[(2-aminoethylamino)methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 9977071
10-[2-(Dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 10478193
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide
CID 59004228
3-(3-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 66605756
10-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
CID 66898172
1'-(6-Methoxyquinoline-3-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
CID 70674464
14-[2-(dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino]propyl]-4-methoxy-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 135426710
4-Acridinecarboxamide, N-(2-(dimethylamino)ethyl)-7-methoxy-
CID 135684
4-Acridinecarboxamide, 9-amino-N-(2-(dimethylamino)ethyl)-7-methoxy-
CID 150233
9-amino-N-[2-(dimethylamino)ethyl]-2-methoxyacridine-4-carboxamide
CID 150529

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-methoxy-14-(2-piperidin-1-ylethyl)-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]-4-methoxy-14-(2-piperidin-1-ylethyl)-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 135471613) is N-[2-(dimethylamino)ethyl]-4-methoxy-14-(2-piperidin-1-ylethyl)-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]-4-methoxy-14-(2-piperidin-1-ylethyl)-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]-4-methoxy-14-(2-piperidin-1-ylethyl)-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 COc1ccc2c(c1)-c1nn(CCN3CCCCC3)c3ccc(C(=O)NCCN(C)C)c(c13)N2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-methoxy-14-(2-piperidin-1-ylethyl)-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 ONQGUPRWUAJCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-30(2)14-11-27-26(33)19-8-10-22-23-24(19)28-21-9-7-18(34-3)17-20(21)25(23)29-32(22)16-15-31-12-5-4-6-13-31/h7-10,17,28H,4-6,11-16H2,1-3H3,(H,27,33).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-methoxy-14-(2-piperidin-1-ylethyl)-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]-4-methoxy-14-(2-piperidin-1-ylethyl)-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 462.60 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-methoxy-14-(2-piperidin-1-ylethyl)-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 135471613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).