N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide

C12H18ClN3O — CID 79113868

IUPACN-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C12H18ClN3O/c1-16-7-8(13)6-11(16)12(17)15-10-4-2-9(14)3-5-10/h6-7,9-10H,2-5,14H2,1H3,(H,15,17)
InChIKeyLIAXISHUBSRIDD-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.68
Rot. Bonds2

About N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide

N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide (PubChem CID 79113868) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide
PubChem CID79113868
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC NameN-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C12H18ClN3O/c1-16-7-8(13)6-11(16)12(17)15-10-4-2-9(14)3-5-10/h6-7,9-10H,2-5,14H2,1H3,(H,15,17)
InChIKeyLIAXISHUBSRIDD-UHFFFAOYSA-N
XLogP1.68
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688807
N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide
CID 168679995
4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 62665276
4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43642107
4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide
CID 43643546
4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide
CID 103774058
4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide
CID 61244506
4-amino-1-methyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
CID 61461789
4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide
CID 42573577
N-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60739481
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide (CID 79113868) is N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide is Cn1cc(Cl)cc1C(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide?
The InChIKey is LIAXISHUBSRIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-16-7-8(13)6-11(16)12(17)15-10-4-2-9(14)3-5-10/h6-7,9-10H,2-5,14H2,1H3,(H,15,17).
What are the key properties of N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide?
N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 79113868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).