3-N,10-N-bis[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-3,10-dicarboxamide

C22H29N5O2 — CID 66667040

IUPAC3-N,10-N-bis[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-3,10-dicarboxamide
SMILESCN(C)CCNC(=O)c1ccc2c(C(=O)NCCN(C)C)c3ccccn3c2c1
InChIInChI=1S/C22H29N5O2/c1-25(2)13-10-23-21(28)16-8-9-17-19(15-16)27-12-6-5-7-18(27)20(17)22(29)24-11-14-26(3)4/h5-9,12,15H,10-11,13-14H2,1-4H3,(H,23,28)(H,24,29)
InChIKeyJQKFHJZMXBFOIB-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.68
Rot. Bonds8

About 3-N,10-N-bis[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-3,10-dicarboxamide

3-N,10-N-bis[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-3,10-dicarboxamide (PubChem CID 66667040) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3-N,10-N-bis[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-3,10-dicarboxamide.

Molecular Properties

Compound Name3-N,10-N-bis[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-3,10-dicarboxamide
PubChem CID66667040
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name3-N,10-N-bis[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-3,10-dicarboxamide
SMILESCN(C)CCNC(=O)c1ccc2c(C(=O)NCCN(C)C)c3ccccn3c2c1
InChIInChI=1S/C22H29N5O2/c1-25(2)13-10-23-21(28)16-8-9-17-19(15-16)27-12-6-5-7-18(27)20(17)22(29)24-11-14-26(3)4/h5-9,12,15H,10-11,13-14H2,1-4H3,(H,23,28)(H,24,29)
InChIKeyJQKFHJZMXBFOIB-UHFFFAOYSA-N
XLogP1.68
TPSA69.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-acetyl-N-[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-10-carboxamide
CID 66666858
3-N-methylpyrido[1,2-a]indole-3,10-dicarboxamide
CID 66667151
2-(dimethylamino)ethyl 3-(dimethylcarbamothioyl)pyrido[1,2-a]indole-10-carboxylate
CID 87097174
2-(dimethylamino)ethyl 3-(4-methoxybutanoyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667334
N-[2-(dimethylamino)ethyl]-3-(indol-1-ylmethyl)benzamide
CID 23513989
N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692285
1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067130
3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 163329159
N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
CID 107019569
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 71814744
N-[2-(dimethylamino)ethyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride
CID 54736678

Frequently Asked Questions

What is the IUPAC name of 3-N,10-N-bis[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-3,10-dicarboxamide?
The IUPAC name of 3-N,10-N-bis[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-3,10-dicarboxamide (CID 66667040) is 3-N,10-N-bis[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-3,10-dicarboxamide.
What is the SMILES notation for 3-N,10-N-bis[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-3,10-dicarboxamide?
The canonical SMILES for 3-N,10-N-bis[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-3,10-dicarboxamide is CN(C)CCNC(=O)c1ccc2c(C(=O)NCCN(C)C)c3ccccn3c2c1.
What is the InChIKey of 3-N,10-N-bis[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-3,10-dicarboxamide?
The InChIKey is JQKFHJZMXBFOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-25(2)13-10-23-21(28)16-8-9-17-19(15-16)27-12-6-5-7-18(27)20(17)22(29)24-11-14-26(3)4/h5-9,12,15H,10-11,13-14H2,1-4H3,(H,23,28)(H,24,29).
What are the key properties of 3-N,10-N-bis[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-3,10-dicarboxamide?
3-N,10-N-bis[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-3,10-dicarboxamide has a molecular weight of 395.51 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,10-N-bis[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-3,10-dicarboxamide is sourced from PubChem (CID 66667040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).