4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide

C15H23N3O — CID 43643527

IUPAC4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESNc1cc(C(=O)NCC2CCCCC2)n(C2CC2)c1
InChIInChI=1S/C15H23N3O/c16-12-8-14(18(10-12)13-6-7-13)15(19)17-9-11-4-2-1-3-5-11/h8,10-11,13H,1-7,9,16H2,(H,17,19)
InChIKeyUCBRPBCYRHJXOU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.72
Rot. Bonds4

About 4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide

4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 43643527) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide
PubChem CID43643527
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESNc1cc(C(=O)NCC2CCCCC2)n(C2CC2)c1
InChIInChI=1S/C15H23N3O/c16-12-8-14(18(10-12)13-6-7-13)15(19)17-9-11-4-2-1-3-5-11/h8,10-11,13H,1-7,9,16H2,(H,17,19)
InChIKeyUCBRPBCYRHJXOU-UHFFFAOYSA-N
XLogP2.72
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylmethyl)-1-cyclopropyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612168
4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643776
4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide
CID 61117214
4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide
CID 43644088
4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide
CID 64569791
4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide
CID 106899099
4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide
CID 107864320
4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide
CID 83176737
4-amino-1-cyclopropyl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
CID 83142197
4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 43642172
4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide
CID 43642445
4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide
CID 114158303

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide (CID 43643527) is 4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide is Nc1cc(C(=O)NCC2CCCCC2)n(C2CC2)c1.
What is the InChIKey of 4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is UCBRPBCYRHJXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-12-8-14(18(10-12)13-6-7-13)15(19)17-9-11-4-2-1-3-5-11/h8,10-11,13H,1-7,9,16H2,(H,17,19).
What are the key properties of 4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide?
4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 43643527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).