4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide

C15H16N4O — CID 43642348

IUPAC4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H16N4O/c1-2-7-19-10-12(17)8-14(19)15(20)18-13-5-3-11(9-16)4-6-13/h3-6,8,10H,2,7,17H2,1H3,(H,18,20)
InChIKeyXUNBBGDSWMHQLA-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.60
Rot. Bonds4

About 4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide

4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide (PubChem CID 43642348) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide
PubChem CID43642348
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H16N4O/c1-2-7-19-10-12(17)8-14(19)15(20)18-13-5-3-11(9-16)4-6-13/h3-6,8,10H,2,7,17H2,1H3,(H,18,20)
InChIKeyXUNBBGDSWMHQLA-UHFFFAOYSA-N
XLogP2.60
TPSA83.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 61103364
4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide
CID 43642219
4-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 79234677
4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
CID 43642862
4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43643237
4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
CID 43642423
4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide
CID 61116942
4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106179940
4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide
CID 43643246
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 65489271
4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide
CID 43641190

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide (CID 43642348) is 4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is XUNBBGDSWMHQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-7-19-10-12(17)8-14(19)15(20)18-13-5-3-11(9-16)4-6-13/h3-6,8,10H,2,7,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide?
4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43642348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).