1,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrole-2-carboxamide

C17H22N4O2 — CID 31888506

IUPAC1,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)NC(C)C)c2)n1C
InChIInChI=1S/C17H22N4O2/c1-11(2)18-17(23)20-14-7-5-6-13(10-14)19-16(22)15-9-8-12(3)21(15)4/h5-11H,1-4H3,(H,19,22)(H2,18,20,23)
InChIKeyRVHLKYGSYQIMJZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.12
Rot. Bonds4

About 1,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrole-2-carboxamide

1,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrole-2-carboxamide (PubChem CID 31888506) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrole-2-carboxamide
PubChem CID31888506
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)NC(C)C)c2)n1C
InChIInChI=1S/C17H22N4O2/c1-11(2)18-17(23)20-14-7-5-6-13(10-14)19-16(22)15-9-8-12(3)21(15)4/h5-11H,1-4H3,(H,19,22)(H2,18,20,23)
InChIKeyRVHLKYGSYQIMJZ-UHFFFAOYSA-N
XLogP3.12
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 31873928
1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea
CID 47202672
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid
CID 60750145
N,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide
CID 39345340
4-(methoxymethyl)-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 31886869
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
tert-butyl N-[[3-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]methyl]-N-methylcarbamate
CID 60510983
N-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide
CID 42930410
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55649936
5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 31888702

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrole-2-carboxamide (CID 31888506) is 1,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrole-2-carboxamide is Cc1ccc(C(=O)Nc2cccc(NC(=O)NC(C)C)c2)n1C.
What is the InChIKey of 1,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrole-2-carboxamide?
The InChIKey is RVHLKYGSYQIMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(2)18-17(23)20-14-7-5-6-13(10-14)19-16(22)15-9-8-12(3)21(15)4/h5-11H,1-4H3,(H,19,22)(H2,18,20,23).
What are the key properties of 1,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrole-2-carboxamide?
1,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrole-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 31888506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).