4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide

C16H25N3O2 — CID 61108907

IUPAC4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCN(C(=O)c1cc(N)cn1C1CC1)C(C)C1CC1
InChIInChI=1S/C16H25N3O2/c1-11(12-3-4-12)18(7-8-21-2)16(20)15-9-13(17)10-19(15)14-5-6-14/h9-12,14H,3-8,17H2,1-2H3
InChIKeyIBPUFTJKPBMTEV-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.29
Rot. Bonds7

About 4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide (PubChem CID 61108907) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
PubChem CID61108907
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCN(C(=O)c1cc(N)cn1C1CC1)C(C)C1CC1
InChIInChI=1S/C16H25N3O2/c1-11(12-3-4-12)18(7-8-21-2)16(20)15-9-13(17)10-19(15)14-5-6-14/h9-12,14H,3-8,17H2,1-2H3
InChIKeyIBPUFTJKPBMTEV-UHFFFAOYSA-N
XLogP2.29
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 82950994
3-amino-N-(1-cyclopropylethyl)-5-methoxy-N-(2-methoxyethyl)benzamide
CID 81092978
4-amino-1-cyclopropyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrole-2-carboxamide
CID 79489755
3-methoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61309416
5-amino-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
CID 103296114
5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide
CID 62816823
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzamide
CID 60794981
4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 112729543
2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylbenzamide
CID 61108147
4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide
CID 64569791
3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 114526441
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide
CID 107026569

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide (CID 61108907) is 4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide is COCCN(C(=O)c1cc(N)cn1C1CC1)C(C)C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide?
The InChIKey is IBPUFTJKPBMTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(12-3-4-12)18(7-8-21-2)16(20)15-9-13(17)10-19(15)14-5-6-14/h9-12,14H,3-8,17H2,1-2H3.
What are the key properties of 4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 61108907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).