N-[3-(4-fluorophenyl)propyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide

C19H19FN4OS — CID 11667833

IUPACN-[3-(4-fluorophenyl)propyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
SMILESCNc1nccc(-c2ccc(C(=O)NCCCc3ccc(F)cc3)s2)n1
InChIInChI=1S/C19H19FN4OS/c1-21-19-23-12-10-15(24-19)16-8-9-17(26-16)18(25)22-11-2-3-13-4-6-14(20)7-5-13/h4-10,12H,2-3,11H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyATXIGCMNGRDMPV-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.75
Rot. Bonds7

About N-[3-(4-fluorophenyl)propyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide

N-[3-(4-fluorophenyl)propyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide (PubChem CID 11667833) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)propyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)propyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
PubChem CID11667833
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC NameN-[3-(4-fluorophenyl)propyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
SMILESCNc1nccc(-c2ccc(C(=O)NCCCc3ccc(F)cc3)s2)n1
InChIInChI=1S/C19H19FN4OS/c1-21-19-23-12-10-15(24-19)16-8-9-17(26-16)18(25)22-11-2-3-13-4-6-14(20)7-5-13/h4-10,12H,2-3,11H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyATXIGCMNGRDMPV-UHFFFAOYSA-N
XLogP3.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)propyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)propyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide (CID 11667833) is N-[3-(4-fluorophenyl)propyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)propyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)propyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide is CNc1nccc(-c2ccc(C(=O)NCCCc3ccc(F)cc3)s2)n1.
What is the InChIKey of N-[3-(4-fluorophenyl)propyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The InChIKey is ATXIGCMNGRDMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c1-21-19-23-12-10-15(24-19)16-8-9-17(26-16)18(25)22-11-2-3-13-4-6-14(20)7-5-13/h4-10,12H,2-3,11H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of N-[3-(4-fluorophenyl)propyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
N-[3-(4-fluorophenyl)propyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)propyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 11667833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).