N,N-diethyl-1-[6-[3-[2-oxo-2-(propylamino)ethyl]indol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide

C27H36N6O2 — CID 117089167

IUPACN,N-diethyl-1-[6-[3-[2-oxo-2-(propylamino)ethyl]indol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide
SMILESCCCNC(=O)Cc1cn(-c2ccc(N3CCCC(C(=O)N(CC)CC)C3)nn2)c2ccccc12
InChIInChI=1S/C27H36N6O2/c1-4-15-28-26(34)17-21-19-33(23-12-8-7-11-22(21)23)25-14-13-24(29-30-25)32-16-9-10-20(18-32)27(35)31(5-2)6-3/h7-8,11-14,19-20H,4-6,9-10,15-18H2,1-3H3,(H,28,34)
InChIKeyQLBFKAPHWPYEOG-UHFFFAOYSA-N
MW476.63 g/mol
LogP3.57
Rot. Bonds9

About N,N-diethyl-1-[6-[3-[2-oxo-2-(propylamino)ethyl]indol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide

N,N-diethyl-1-[6-[3-[2-oxo-2-(propylamino)ethyl]indol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 117089167) has the molecular formula C27H36N6O2 and a molecular weight of 476.63 g/mol. Its IUPAC name is N,N-diethyl-1-[6-[3-[2-oxo-2-(propylamino)ethyl]indol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[6-[3-[2-oxo-2-(propylamino)ethyl]indol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID117089167
Molecular FormulaC27H36N6O2
Molecular Weight476.63 g/mol
Exact Mass476.29
IUPAC NameN,N-diethyl-1-[6-[3-[2-oxo-2-(propylamino)ethyl]indol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide
SMILESCCCNC(=O)Cc1cn(-c2ccc(N3CCCC(C(=O)N(CC)CC)C3)nn2)c2ccccc12
InChIInChI=1S/C27H36N6O2/c1-4-15-28-26(34)17-21-19-33(23-12-8-7-11-22(21)23)25-14-13-24(29-30-25)32-16-9-10-20(18-32)27(35)31(5-2)6-3/h7-8,11-14,19-20H,4-6,9-10,15-18H2,1-3H3,(H,28,34)
InChIKeyQLBFKAPHWPYEOG-UHFFFAOYSA-N
XLogP3.57
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-1-[6-[3-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]indol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide
CID 117089243
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide
CID 117090636
N-benzyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
CID 117094335
N-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
CID 117088957
N-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide
CID 133343097
1-[6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propylpiperidine-3-carboxamide
CID 53136227
(3R)-1-(6-propan-2-ylsulfanylpyridazin-3-yl)-N-propylpiperidine-3-carboxamide
CID 96538691
N-(4-acetamidophenyl)-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
CID 117094656
N-(1H-benzimidazol-2-ylmethyl)-2-[1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]indol-3-yl]acetamide
CID 117087597
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 90514654
(3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide
CID 95125854
(3R)-N,N-diethyl-1-(2-nitrophenyl)piperidine-3-carboxamide
CID 7123107

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[6-[3-[2-oxo-2-(propylamino)ethyl]indol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[6-[3-[2-oxo-2-(propylamino)ethyl]indol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide (CID 117089167) is N,N-diethyl-1-[6-[3-[2-oxo-2-(propylamino)ethyl]indol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[6-[3-[2-oxo-2-(propylamino)ethyl]indol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[6-[3-[2-oxo-2-(propylamino)ethyl]indol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide is CCCNC(=O)Cc1cn(-c2ccc(N3CCCC(C(=O)N(CC)CC)C3)nn2)c2ccccc12.
What is the InChIKey of N,N-diethyl-1-[6-[3-[2-oxo-2-(propylamino)ethyl]indol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is QLBFKAPHWPYEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O2/c1-4-15-28-26(34)17-21-19-33(23-12-8-7-11-22(21)23)25-14-13-24(29-30-25)32-16-9-10-20(18-32)27(35)31(5-2)6-3/h7-8,11-14,19-20H,4-6,9-10,15-18H2,1-3H3,(H,28,34).
What are the key properties of N,N-diethyl-1-[6-[3-[2-oxo-2-(propylamino)ethyl]indol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide?
N,N-diethyl-1-[6-[3-[2-oxo-2-(propylamino)ethyl]indol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 476.63 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[6-[3-[2-oxo-2-(propylamino)ethyl]indol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 117089167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).