N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

C16H17FN4O — CID 20959366

IUPACN-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1F)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C16H17FN4O/c17-14-6-2-1-5-12(14)9-18-15(22)13-10-19-16(20-11-13)21-7-3-4-8-21/h1-2,5-6,10-11H,3-4,7-9H2,(H,18,22)
InChIKeyJATCTMOEBDEIIB-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.15
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 20959366) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID20959366
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC NameN-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1F)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C16H17FN4O/c17-14-6-2-1-5-12(14)9-18-15(22)13-10-19-16(20-11-13)21-7-3-4-8-21/h1-2,5-6,10-11H,3-4,7-9H2,(H,18,22)
InChIKeyJATCTMOEBDEIIB-UHFFFAOYSA-N
XLogP2.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 20959366) is N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is O=C(NCc1ccccc1F)c1cnc(N2CCCC2)nc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is JATCTMOEBDEIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-14-6-2-1-5-12(14)9-18-15(22)13-10-19-16(20-11-13)21-7-3-4-8-21/h1-2,5-6,10-11H,3-4,7-9H2,(H,18,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 20959366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).