N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide

C18H24FN3O — CID 119660333

IUPACN-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1c[nH]cc1-c1ccc(F)cc1
InChIInChI=1S/C18H24FN3O/c1-12(2)17(20)8-9-22(3)18(23)16-11-21-10-15(16)13-4-6-14(19)7-5-13/h4-7,10-12,17,21H,8-9,20H2,1-3H3
InChIKeyWUFFRVJBMVSITF-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.27
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide

N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide (PubChem CID 119660333) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide
PubChem CID119660333
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC NameN-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1c[nH]cc1-c1ccc(F)cc1
InChIInChI=1S/C18H24FN3O/c1-12(2)17(20)8-9-22(3)18(23)16-11-21-10-15(16)13-4-6-14(19)7-5-13/h4-7,10-12,17,21H,8-9,20H2,1-3H3
InChIKeyWUFFRVJBMVSITF-UHFFFAOYSA-N
XLogP3.27
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide (CID 119660333) is N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide is CC(C)C(N)CCN(C)C(=O)c1c[nH]cc1-c1ccc(F)cc1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is WUFFRVJBMVSITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-12(2)17(20)8-9-22(3)18(23)16-11-21-10-15(16)13-4-6-14(19)7-5-13/h4-7,10-12,17,21H,8-9,20H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide?
N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 119660333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).