4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide

C17H18Cl2N4O2 — CID 177382788

IUPAC4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide
SMILESO=C(NC1CCNCC1)c1c[nH]cc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H18Cl2N4O2/c18-12-2-1-3-13(19)15(12)17(25)23-14-9-21-8-11(14)16(24)22-10-4-6-20-7-5-10/h1-3,8-10,20-21H,4-7H2,(H,22,24)(H,23,25)
InChIKeySYKKXAMILDNUNO-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.06
Rot. Bonds4

About 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide

4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide (PubChem CID 177382788) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide
PubChem CID177382788
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC Name4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide
SMILESO=C(NC1CCNCC1)c1c[nH]cc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H18Cl2N4O2/c18-12-2-1-3-13(19)15(12)17(25)23-14-9-21-8-11(14)16(24)22-10-4-6-20-7-5-10/h1-3,8-10,20-21H,4-7H2,(H,22,24)(H,23,25)
InChIKeySYKKXAMILDNUNO-UHFFFAOYSA-N
XLogP3.06
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazol-1-ium-3-carboxamide
CID 143263793
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
4-[(2,6-dichlorobenzoyl)amino]-1-methylsulfonyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 171649605
2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388266
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
N-piperidin-4-yl-2H-isoindole-4-carboxamide
CID 175803633
2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428069
2-benzamido-N-piperidin-4-ylbenzamide
CID 119388442
3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107098265
3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 81265233
2-chloro-N-cycloheptylbenzamide;pyrrolidine
CID 143233402
4-[(2,6-dichlorobenzoyl)amino]-1-(dodecoxymethyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride
CID 155229814

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide (CID 177382788) is 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide is O=C(NC1CCNCC1)c1c[nH]cc1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide?
The InChIKey is SYKKXAMILDNUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2/c18-12-2-1-3-13(19)15(12)17(25)23-14-9-21-8-11(14)16(24)22-10-4-6-20-7-5-10/h1-3,8-10,20-21H,4-7H2,(H,22,24)(H,23,25).
What are the key properties of 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide?
4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide has a molecular weight of 381.26 g/mol, XLogP of 3.06, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 177382788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).