4-amino-N-(1-cyclopropylbutan-2-yl)-1-ethylpyrrole-2-carboxamide

C14H23N3O — CID 63995018

IUPAC4-amino-N-(1-cyclopropylbutan-2-yl)-1-ethylpyrrole-2-carboxamide
SMILESCCC(CC1CC1)NC(=O)c1cc(N)cn1CC
InChIInChI=1S/C14H23N3O/c1-3-12(7-10-5-6-10)16-14(18)13-8-11(15)9-17(13)4-2/h8-10,12H,3-7,15H2,1-2H3,(H,16,18)
InChIKeyVMCMGFVXOLPHTH-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.40
Rot. Bonds6

About 4-amino-N-(1-cyclopropylbutan-2-yl)-1-ethylpyrrole-2-carboxamide

4-amino-N-(1-cyclopropylbutan-2-yl)-1-ethylpyrrole-2-carboxamide (PubChem CID 63995018) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylbutan-2-yl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylbutan-2-yl)-1-ethylpyrrole-2-carboxamide
PubChem CID63995018
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-N-(1-cyclopropylbutan-2-yl)-1-ethylpyrrole-2-carboxamide
SMILESCCC(CC1CC1)NC(=O)c1cc(N)cn1CC
InChIInChI=1S/C14H23N3O/c1-3-12(7-10-5-6-10)16-14(18)13-8-11(15)9-17(13)4-2/h8-10,12H,3-7,15H2,1-2H3,(H,16,18)
InChIKeyVMCMGFVXOLPHTH-UHFFFAOYSA-N
XLogP2.40
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-cyclopropylethyl)-1-ethylpyrrole-2-carboxamide
CID 43643685
4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide
CID 93254381
2-(5-amino-2-oxo-1-pyridinyl)-N-(1-cyclopropylbutan-2-yl)acetamide
CID 63995410
4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide
CID 63994432
4-amino-1-ethyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrole-2-carboxamide
CID 61140181
4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide
CID 63994420
4-amino-1-ethyl-N-(1-ethylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61139100
5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-carboxamide
CID 113288604
4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrrole-2-carboxamide
CID 43644123
4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide
CID 62403049
4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide
CID 43643619
4-amino-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 93254371

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropylbutan-2-yl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(1-cyclopropylbutan-2-yl)-1-ethylpyrrole-2-carboxamide (CID 63995018) is 4-amino-N-(1-cyclopropylbutan-2-yl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylbutan-2-yl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylbutan-2-yl)-1-ethylpyrrole-2-carboxamide is CCC(CC1CC1)NC(=O)c1cc(N)cn1CC.
What is the InChIKey of 4-amino-N-(1-cyclopropylbutan-2-yl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is VMCMGFVXOLPHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-12(7-10-5-6-10)16-14(18)13-8-11(15)9-17(13)4-2/h8-10,12H,3-7,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-N-(1-cyclopropylbutan-2-yl)-1-ethylpyrrole-2-carboxamide?
4-amino-N-(1-cyclopropylbutan-2-yl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylbutan-2-yl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 63995018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).