3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide

C23H27ClN4O4S — CID 67322741

IUPAC3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
SMILESCS(=O)(=O)c1cnc(N2CCC(CC(=O)NC3CC3)CC2)c(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C23H27ClN4O4S/c1-33(31,32)19-13-20(27-23(30)16-3-2-4-17(24)12-16)22(25-14-19)28-9-7-15(8-10-28)11-21(29)26-18-5-6-18/h2-4,12-15,18H,5-11H2,1H3,(H,26,29)(H,27,30)
InChIKeyHUGOHFUODGLYMY-UHFFFAOYSA-N
MW491.01 g/mol
LogP3.28
Rot. Bonds7

About 3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide

3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide (PubChem CID 67322741) has the molecular formula C23H27ClN4O4S and a molecular weight of 491.01 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
PubChem CID67322741
Molecular FormulaC23H27ClN4O4S
Molecular Weight491.01 g/mol
Exact Mass490.14
IUPAC Name3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
SMILESCS(=O)(=O)c1cnc(N2CCC(CC(=O)NC3CC3)CC2)c(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C23H27ClN4O4S/c1-33(31,32)19-13-20(27-23(30)16-3-2-4-17(24)12-16)22(25-14-19)28-9-7-15(8-10-28)11-21(29)26-18-5-6-18/h2-4,12-15,18H,5-11H2,1H3,(H,26,29)(H,27,30)
InChIKeyHUGOHFUODGLYMY-UHFFFAOYSA-N
XLogP3.28
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.01
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[5-methylsulfonyl-2-[4-[(4S)-2-oxo-4-phenylpentyl]piperidin-1-yl]-3-pyridinyl]benzamide
CID 158313477
3-chloro-N-[2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
CID 67341898
3-chloro-N-[5-methylsulfonyl-2-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide
CID 77270238
N-[2-[4-[2-[3-(6-bromo-3-pyridinyl)propylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-chlorobenzamide
CID 87355519
3-chloro-N-[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
CID 87355894
3-chloro-N-[5-chloro-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide
CID 159708927
5-[(3-chlorobenzoyl)amino]-N-cyclopropyl-6-[4-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 67344639
3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307301
1-[5-chloro-3-[(3-chlorobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxylic acid
CID 67344796
3-chloro-N-[5-chloro-2-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide
CID 67341438
3-chloro-N-[2-[4-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[5-methylsulfonyl-2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 158508746
4-methoxy-N-[2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
CID 67345373

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide (CID 67322741) is 3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide is CS(=O)(=O)c1cnc(N2CCC(CC(=O)NC3CC3)CC2)c(NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide?
The InChIKey is HUGOHFUODGLYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O4S/c1-33(31,32)19-13-20(27-23(30)16-3-2-4-17(24)12-16)22(25-14-19)28-9-7-15(8-10-28)11-21(29)26-18-5-6-18/h2-4,12-15,18H,5-11H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide?
3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide has a molecular weight of 491.01 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide is sourced from PubChem (CID 67322741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).