4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide

C14H25N3O — CID 43643434

IUPAC4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide
SMILESCCCN(C(=O)c1cc(N)cn1C(C)C)C(C)C
InChIInChI=1S/C14H25N3O/c1-6-7-16(10(2)3)14(18)13-8-12(15)9-17(13)11(4)5/h8-11H,6-7,15H2,1-5H3
InChIKeyLLIHUPKBJXJGGH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.91
Rot. Bonds5

About 4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide

4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide (PubChem CID 43643434) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide
PubChem CID43643434
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide
SMILESCCCN(C(=O)c1cc(N)cn1C(C)C)C(C)C
InChIInChI=1S/C14H25N3O/c1-6-7-16(10(2)3)14(18)13-8-12(15)9-17(13)11(4)5/h8-11H,6-7,15H2,1-5H3
InChIKeyLLIHUPKBJXJGGH-UHFFFAOYSA-N
XLogP2.91
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4461
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N-propargyl-1H-pyrrole-2-carboxamide
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Distamin
CID 194211
N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-isopropyl-pyrrol-3-yl]-4-formamido-1-methyl-pyrrole-2-carboxamide
CID 3009864
N-cyclohexyl-1-methylpyrrole-2-carboxamide
CID 24978957
Netropsin dihydrochloride
CID 5351456
N-methyl-N-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxamide
CID 11008237
N,1-dimethyl-N-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxamide
CID 16110301
1-methyl-N-(4-methylcyclohexyl)-2-pyrrolecarboxamide
CID 25161651
2-(1-methyl-1H-pyrrol-2-yl)-2-oxo-N-phenylacetamide
CID 3787371

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide (CID 43643434) is 4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide is CCCN(C(=O)c1cc(N)cn1C(C)C)C(C)C.
What is the InChIKey of 4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide?
The InChIKey is LLIHUPKBJXJGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-7-16(10(2)3)14(18)13-8-12(15)9-17(13)11(4)5/h8-11H,6-7,15H2,1-5H3.
What are the key properties of 4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide?
4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43643434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).