6-chloro-3-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridazine-4-carboxamide

C15H20ClN5O2 — CID 133390785

IUPAC6-chloro-3-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridazine-4-carboxamide
SMILESNC(=O)c1cc(Cl)nnc1N1CCN(CC2CCCC2)C(=O)C1
InChIInChI=1S/C15H20ClN5O2/c16-12-7-11(14(17)23)15(19-18-12)21-6-5-20(13(22)9-21)8-10-3-1-2-4-10/h7,10H,1-6,8-9H2,(H2,17,23)
InChIKeyFEPWPXBTQVRPSW-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.07
Rot. Bonds4

About 6-chloro-3-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridazine-4-carboxamide

6-chloro-3-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridazine-4-carboxamide (PubChem CID 133390785) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 6-chloro-3-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridazine-4-carboxamide
PubChem CID133390785
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC Name6-chloro-3-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridazine-4-carboxamide
SMILESNC(=O)c1cc(Cl)nnc1N1CCN(CC2CCCC2)C(=O)C1
InChIInChI=1S/C15H20ClN5O2/c16-12-7-11(14(17)23)15(19-18-12)21-6-5-20(13(22)9-21)8-10-3-1-2-4-10/h7,10H,1-6,8-9H2,(H2,17,23)
InChIKeyFEPWPXBTQVRPSW-UHFFFAOYSA-N
XLogP1.07
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-2-carboxamide
CID 75509698
4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one
CID 133390902
6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide
CID 133341091
1-(cyclopentylmethyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one
CID 133390681
6-chloro-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]pyridazine-4-carboxamide
CID 133341225
ethyl 6-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate
CID 133390714
5-nitro-2-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133326344
6-chloro-3-(3-prop-2-enoxypyrrolidin-1-yl)pyridazine-4-carboxamide
CID 133465341
6-chloro-3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridazine-4-carboxamide
CID 133338594
4-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one
CID 84594224
4-(4-acetyl-2-nitrophenyl)-1-(cyclopentylmethyl)piperazin-2-one
CID 133390737
3-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-6-chloropyridazine-4-carboxamide
CID 97220067

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridazine-4-carboxamide (CID 133390785) is 6-chloro-3-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridazine-4-carboxamide is NC(=O)c1cc(Cl)nnc1N1CCN(CC2CCCC2)C(=O)C1.
What is the InChIKey of 6-chloro-3-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridazine-4-carboxamide?
The InChIKey is FEPWPXBTQVRPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O2/c16-12-7-11(14(17)23)15(19-18-12)21-6-5-20(13(22)9-21)8-10-3-1-2-4-10/h7,10H,1-6,8-9H2,(H2,17,23).
What are the key properties of 6-chloro-3-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridazine-4-carboxamide?
6-chloro-3-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridazine-4-carboxamide has a molecular weight of 337.81 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 133390785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).