4-amino-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrrole-2-carboxamide

C14H19N3O2 — CID 55081690

IUPAC4-amino-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCc1ccc(C)o1
InChIInChI=1S/C14H19N3O2/c1-3-6-17-9-11(15)7-13(17)14(18)16-8-12-5-4-10(2)19-12/h4-5,7,9H,3,6,8,15H2,1-2H3,(H,16,18)
InChIKeyDCNDLUBHBGILAU-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.31
Rot. Bonds5

About 4-amino-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrrole-2-carboxamide

4-amino-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrrole-2-carboxamide (PubChem CID 55081690) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-amino-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrrole-2-carboxamide
PubChem CID55081690
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-amino-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCc1ccc(C)o1
InChIInChI=1S/C14H19N3O2/c1-3-6-17-9-11(15)7-13(17)14(18)16-8-12-5-4-10(2)19-12/h4-5,7,9H,3,6,8,15H2,1-2H3,(H,16,18)
InChIKeyDCNDLUBHBGILAU-UHFFFAOYSA-N
XLogP2.31
TPSA73.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 106368803
4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 79225029
4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43643225
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 62223456
2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 131933266
4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
5-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 79994265
4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 63243289
4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61117906
4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide
CID 61139515
4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide
CID 107411013
4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43643237

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrrole-2-carboxamide (CID 55081690) is 4-amino-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NCc1ccc(C)o1.
What is the InChIKey of 4-amino-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is DCNDLUBHBGILAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-6-17-9-11(15)7-13(17)14(18)16-8-12-5-4-10(2)19-12/h4-5,7,9H,3,6,8,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrrole-2-carboxamide?
4-amino-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 55081690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).