4-amino-1-cyclopropyl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide

C15H25N3O — CID 83142197

IUPAC4-amino-1-cyclopropyl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
SMILESCC(CNC(=O)c1cc(N)cn1C1CC1)C(C)(C)C
InChIInChI=1S/C15H25N3O/c1-10(15(2,3)4)8-17-14(19)13-7-11(16)9-18(13)12-5-6-12/h7,9-10,12H,5-6,8,16H2,1-4H3,(H,17,19)
InChIKeyMDHUGMFSNGZGDC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.82
Rot. Bonds4

About 4-amino-1-cyclopropyl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide (PubChem CID 83142197) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
PubChem CID83142197
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-amino-1-cyclopropyl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
SMILESCC(CNC(=O)c1cc(N)cn1C1CC1)C(C)(C)C
InChIInChI=1S/C15H25N3O/c1-10(15(2,3)4)8-17-14(19)13-7-11(16)9-18(13)12-5-6-12/h7,9-10,12H,5-6,8,16H2,1-4H3,(H,17,19)
InChIKeyMDHUGMFSNGZGDC-UHFFFAOYSA-N
XLogP2.82
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide
CID 64569791
4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43643307
4-amino-1-cyclopropyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide
CID 106139336
4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide
CID 113493826
4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide
CID 83176737
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-(3-ethylpentan-2-yl)pyrrole-2-carboxamide
CID 63842385
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-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643527
4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide
CID 43642445

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide (CID 83142197) is 4-amino-1-cyclopropyl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide is CC(CNC(=O)c1cc(N)cn1C1CC1)C(C)(C)C.
What is the InChIKey of 4-amino-1-cyclopropyl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide?
The InChIKey is MDHUGMFSNGZGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10(15(2,3)4)8-17-14(19)13-7-11(16)9-18(13)12-5-6-12/h7,9-10,12H,5-6,8,16H2,1-4H3,(H,17,19).
What are the key properties of 4-amino-1-cyclopropyl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide is sourced from PubChem (CID 83142197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).