N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxamide

C18H17FN6OS — CID 153394115

IUPACN-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxamide
SMILESNc1ccc(-c2cccs2)nc1NC(=O)N1CCC(c2ncc(F)cn2)C1
InChIInChI=1S/C18H17FN6OS/c19-12-8-21-16(22-9-12)11-5-6-25(10-11)18(26)24-17-13(20)3-4-14(23-17)15-2-1-7-27-15/h1-4,7-9,11H,5-6,10,20H2,(H,23,24,26)
InChIKeyQXZHYSZZOMTYFF-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.34
Rot. Bonds3

About N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxamide

N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxamide (PubChem CID 153394115) has the molecular formula C18H17FN6OS and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxamide
PubChem CID153394115
Molecular FormulaC18H17FN6OS
Molecular Weight384.44 g/mol
Exact Mass384.12
IUPAC NameN-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxamide
SMILESNc1ccc(-c2cccs2)nc1NC(=O)N1CCC(c2ncc(F)cn2)C1
InChIInChI=1S/C18H17FN6OS/c19-12-8-21-16(22-9-12)11-5-6-25(10-11)18(26)24-17-13(20)3-4-14(23-17)15-2-1-7-27-15/h1-4,7-9,11H,5-6,10,20H2,(H,23,24,26)
InChIKeyQXZHYSZZOMTYFF-UHFFFAOYSA-N
XLogP3.34
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxamide (CID 153394115) is N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxamide is Nc1ccc(-c2cccs2)nc1NC(=O)N1CCC(c2ncc(F)cn2)C1.
What is the InChIKey of N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is QXZHYSZZOMTYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6OS/c19-12-8-21-16(22-9-12)11-5-6-25(10-11)18(26)24-17-13(20)3-4-14(23-17)15-2-1-7-27-15/h1-4,7-9,11H,5-6,10,20H2,(H,23,24,26).
What are the key properties of N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxamide?
N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 153394115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).