4-[[2-(dimethylamino)acetyl]amino]-1-methyl-N-[2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)ethyl]pyrrole-2-carboxamide

C26H26N6O3 — CID 46906606

IUPAC4-[[2-(dimethylamino)acetyl]amino]-1-methyl-N-[2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)ethyl]pyrrole-2-carboxamide
SMILESCN(C)CC(=O)Nc1cc(C(=O)NCCn2nc3c4c(cccc42)C(=O)c2ccccc2-3)n(C)c1
InChIInChI=1S/C26H26N6O3/c1-30(2)15-22(33)28-16-13-21(31(3)14-16)26(35)27-11-12-32-20-10-6-9-19-23(20)24(29-32)17-7-4-5-8-18(17)25(19)34/h4-10,13-14H,11-12,15H2,1-3H3,(H,27,35)(H,28,33)
InChIKeyLDHIVWUYCWROPT-UHFFFAOYSA-N
MW470.53 g/mol
LogP2.52
Rot. Bonds7

About 4-[[2-(dimethylamino)acetyl]amino]-1-methyl-N-[2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)ethyl]pyrrole-2-carboxamide

4-[[2-(dimethylamino)acetyl]amino]-1-methyl-N-[2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)ethyl]pyrrole-2-carboxamide (PubChem CID 46906606) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)acetyl]amino]-1-methyl-N-[2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(dimethylamino)acetyl]amino]-1-methyl-N-[2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)ethyl]pyrrole-2-carboxamide
PubChem CID46906606
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC Name4-[[2-(dimethylamino)acetyl]amino]-1-methyl-N-[2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)ethyl]pyrrole-2-carboxamide
SMILESCN(C)CC(=O)Nc1cc(C(=O)NCCn2nc3c4c(cccc42)C(=O)c2ccccc2-3)n(C)c1
InChIInChI=1S/C26H26N6O3/c1-30(2)15-22(33)28-16-13-21(31(3)14-16)26(35)27-11-12-32-20-10-6-9-19-23(20)24(29-32)17-7-4-5-8-18(17)25(19)34/h4-10,13-14H,11-12,15H2,1-3H3,(H,27,35)(H,28,33)
InChIKeyLDHIVWUYCWROPT-UHFFFAOYSA-N
XLogP2.52
TPSA101.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[2-(dimethylamino)acetyl]amino]-1-methyl-N-[2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)ethyl]pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)acetyl]amino]-1-methyl-N-[2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-[[2-(dimethylamino)acetyl]amino]-1-methyl-N-[2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)ethyl]pyrrole-2-carboxamide (CID 46906606) is 4-[[2-(dimethylamino)acetyl]amino]-1-methyl-N-[2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-[[2-(dimethylamino)acetyl]amino]-1-methyl-N-[2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-[[2-(dimethylamino)acetyl]amino]-1-methyl-N-[2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)ethyl]pyrrole-2-carboxamide is CN(C)CC(=O)Nc1cc(C(=O)NCCn2nc3c4c(cccc42)C(=O)c2ccccc2-3)n(C)c1.
What is the InChIKey of 4-[[2-(dimethylamino)acetyl]amino]-1-methyl-N-[2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)ethyl]pyrrole-2-carboxamide?
The InChIKey is LDHIVWUYCWROPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-30(2)15-22(33)28-16-13-21(31(3)14-16)26(35)27-11-12-32-20-10-6-9-19-23(20)24(29-32)17-7-4-5-8-18(17)25(19)34/h4-10,13-14H,11-12,15H2,1-3H3,(H,27,35)(H,28,33).
What are the key properties of 4-[[2-(dimethylamino)acetyl]amino]-1-methyl-N-[2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)ethyl]pyrrole-2-carboxamide?
4-[[2-(dimethylamino)acetyl]amino]-1-methyl-N-[2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)ethyl]pyrrole-2-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)acetyl]amino]-1-methyl-N-[2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 46906606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).