(14Z)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,14,18(22),19-decaene-10-carboxamide

C26H29N5O2 — CID 25160607

IUPAC(14Z)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,14,18(22),19-decaene-10-carboxamide
SMILESCc1cnc2nc1-c1cccc(c1)CO/C=C\Cc1cc(cc(C(=O)NCCN(C)C)c1)N2
InChIInChI=1S/C26H29N5O2/c1-18-16-28-26-29-23-14-19(12-22(15-23)25(32)27-9-10-31(2)3)7-5-11-33-17-20-6-4-8-21(13-20)24(18)30-26/h4-6,8,11-16H,7,9-10,17H2,1-3H3,(H,27,32)(H,28,29,30)/b11-5-
InChIKeyZGJIJODVXDCKBG-WZUFQYTHSA-N
MW443.55 g/mol
LogP4.07
Rot. Bonds4

About (14Z)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,14,18(22),19-decaene-10-carboxamide

(14Z)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,14,18(22),19-decaene-10-carboxamide (PubChem CID 25160607) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is (14Z)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,14,18(22),19-decaene-10-carboxamide.

Molecular Properties

Compound Name(14Z)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,14,18(22),19-decaene-10-carboxamide
PubChem CID25160607
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name(14Z)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,14,18(22),19-decaene-10-carboxamide
SMILESCc1cnc2nc1-c1cccc(c1)CO/C=C\Cc1cc(cc(C(=O)NCCN(C)C)c1)N2
InChIInChI=1S/C26H29N5O2/c1-18-16-28-26-29-23-14-19(12-22(15-23)25(32)27-9-10-31(2)3)7-5-11-33-17-20-6-4-8-21(13-20)24(18)30-26/h4-6,8,11-16H,7,9-10,17H2,1-3H3,(H,27,32)(H,28,29,30)/b11-5-
InChIKeyZGJIJODVXDCKBG-WZUFQYTHSA-N
XLogP4.07
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (14Z)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,14,18(22),19-decaene-10-carboxamide with MolForge

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Related Compounds

(13E)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,13,18(22),19-decaene-10-carboxamide
CID 25160735
3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805509
N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride
CID 67598283
3-(5-amino-6-dibenzofuran-4-ylpyrazin-2-yl)-N-[2-(dimethylamino)ethyl]benzamide
CID 25106430
N-[2-(dimethylamino)ethyl]-3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzamide
CID 133469974
6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109153921
N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109167652
N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109252850
6-N-(5-chloro-2-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096365
N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 61294521
N-[2-(dimethylamino)ethyl]-3-(3-ethylphenyl)benzamide
CID 70827081
N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46743906

Frequently Asked Questions

What is the IUPAC name of (14Z)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,14,18(22),19-decaene-10-carboxamide?
The IUPAC name of (14Z)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,14,18(22),19-decaene-10-carboxamide (CID 25160607) is (14Z)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,14,18(22),19-decaene-10-carboxamide.
What is the SMILES notation for (14Z)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,14,18(22),19-decaene-10-carboxamide?
The canonical SMILES for (14Z)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,14,18(22),19-decaene-10-carboxamide is Cc1cnc2nc1-c1cccc(c1)CO/C=C\Cc1cc(cc(C(=O)NCCN(C)C)c1)N2.
What is the InChIKey of (14Z)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,14,18(22),19-decaene-10-carboxamide?
The InChIKey is ZGJIJODVXDCKBG-WZUFQYTHSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-18-16-28-26-29-23-14-19(12-22(15-23)25(32)27-9-10-31(2)3)7-5-11-33-17-20-6-4-8-21(13-20)24(18)30-26/h4-6,8,11-16H,7,9-10,17H2,1-3H3,(H,27,32)(H,28,29,30)/b11-5-.
What are the key properties of (14Z)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,14,18(22),19-decaene-10-carboxamide?
(14Z)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,14,18(22),19-decaene-10-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (14Z)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,14,18(22),19-decaene-10-carboxamide is sourced from PubChem (CID 25160607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).