N-(2-aminocyclopentyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide

C13H20ClN3O — CID 63251778

IUPACN-(2-aminocyclopentyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Cl)cc1C(=O)NC1CCCC1N
InChIInChI=1S/C13H20ClN3O/c1-8(2)17-7-9(14)6-12(17)13(18)16-11-5-3-4-10(11)15/h6-8,10-11H,3-5,15H2,1-2H3,(H,16,18)
InChIKeyXNJVZGFZAFLESM-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.33
Rot. Bonds3

About N-(2-aminocyclopentyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide

N-(2-aminocyclopentyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 63251778) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is N-(2-aminocyclopentyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclopentyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID63251778
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC NameN-(2-aminocyclopentyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Cl)cc1C(=O)NC1CCCC1N
InChIInChI=1S/C13H20ClN3O/c1-8(2)17-7-9(14)6-12(17)13(18)16-11-5-3-4-10(11)15/h6-8,10-11H,3-5,15H2,1-2H3,(H,16,18)
InChIKeyXNJVZGFZAFLESM-UHFFFAOYSA-N
XLogP2.33
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 94414860
N-[(1R,2R)-2-aminocyclohexyl]-4-nitro-1-propan-2-ylpyrrole-2-carboxamide
CID 93451475
N-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
CID 66188396
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813510
4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide
CID 103774058
N-(2-aminocyclopentyl)-1,5-dimethylpyrrole-2-carboxamide
CID 63251565
N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121735
4-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propan-2-ylpyrrole-2-carboxamide
CID 107845959
N-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide
CID 81323198
(4-amino-3-methylpiperidin-1-yl)-(4-chloro-1-propan-2-ylpyrrol-2-yl)methanone
CID 79868416
N-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66119695
N-(2-aminocyclopentyl)-2-chlorobenzamide
CID 63251263

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopentyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(2-aminocyclopentyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide (CID 63251778) is N-(2-aminocyclopentyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-aminocyclopentyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-aminocyclopentyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Cl)cc1C(=O)NC1CCCC1N.
What is the InChIKey of N-(2-aminocyclopentyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is XNJVZGFZAFLESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-8(2)17-7-9(14)6-12(17)13(18)16-11-5-3-4-10(11)15/h6-8,10-11H,3-5,15H2,1-2H3,(H,16,18).
What are the key properties of N-(2-aminocyclopentyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide?
N-(2-aminocyclopentyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 269.78 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopentyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 63251778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).