4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide

C19H22Cl2N6O3 — CID 166167716

IUPAC4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)c2[nH]ncc2NC(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C19H22Cl2N6O3/c1-22-15(28)10-27-7-5-11(6-8-27)24-19(30)17-14(9-23-26-17)25-18(29)16-12(20)3-2-4-13(16)21/h2-4,9,11H,5-8,10H2,1H3,(H,22,28)(H,23,26)(H,24,30)(H,25,29)
InChIKeyPYJCASIRAQVMSZ-UHFFFAOYSA-N
MW453.33 g/mol
LogP1.91
Rot. Bonds6

About 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide

4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 166167716) has the molecular formula C19H22Cl2N6O3 and a molecular weight of 453.33 g/mol. Its IUPAC name is 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID166167716
Molecular FormulaC19H22Cl2N6O3
Molecular Weight453.33 g/mol
Exact Mass452.11
IUPAC Name4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)c2[nH]ncc2NC(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C19H22Cl2N6O3/c1-22-15(28)10-27-7-5-11(6-8-27)24-19(30)17-14(9-23-26-17)25-18(29)16-12(20)3-2-4-13(16)21/h2-4,9,11H,5-8,10H2,1H3,(H,22,28)(H,23,26)(H,24,30)(H,25,29)
InChIKeyPYJCASIRAQVMSZ-UHFFFAOYSA-N
XLogP1.91
TPSA119.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.33
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide (CID 166167716) is 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide is CNC(=O)CN1CCC(NC(=O)c2[nH]ncc2NC(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is PYJCASIRAQVMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N6O3/c1-22-15(28)10-27-7-5-11(6-8-27)24-19(30)17-14(9-23-26-17)25-18(29)16-12(20)3-2-4-13(16)21/h2-4,9,11H,5-8,10H2,1H3,(H,22,28)(H,23,26)(H,24,30)(H,25,29).
What are the key properties of 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 453.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166167716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).