N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide

C17H19ClFN5O — CID 155629770

IUPACN-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NCc1nc(Cl)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C17H19ClFN5O/c1-24-8-2-3-13(24)17(25)21-9-12-16(20)23-14(15(18)22-12)10-4-6-11(19)7-5-10/h4-7,13H,2-3,8-9H2,1H3,(H2,20,23)(H,21,25)
InChIKeyGMJCVGJQFYOCKH-UHFFFAOYSA-N
MW363.82 g/mol
LogP2.23
Rot. Bonds4

About N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide

N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 155629770) has the molecular formula C17H19ClFN5O and a molecular weight of 363.82 g/mol. Its IUPAC name is N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide
PubChem CID155629770
Molecular FormulaC17H19ClFN5O
Molecular Weight363.82 g/mol
Exact Mass363.13
IUPAC NameN-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NCc1nc(Cl)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C17H19ClFN5O/c1-24-8-2-3-13(24)17(25)21-9-12-16(20)23-14(15(18)22-12)10-4-6-11(19)7-5-10/h4-7,13H,2-3,8-9H2,1H3,(H2,20,23)(H,21,25)
InChIKeyGMJCVGJQFYOCKH-UHFFFAOYSA-N
XLogP2.23
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide (CID 155629770) is N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide is CN1CCCC1C(=O)NCc1nc(Cl)c(-c2ccc(F)cc2)nc1N.
What is the InChIKey of N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is GMJCVGJQFYOCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O/c1-24-8-2-3-13(24)17(25)21-9-12-16(20)23-14(15(18)22-12)10-4-6-11(19)7-5-10/h4-7,13H,2-3,8-9H2,1H3,(H2,20,23)(H,21,25).
What are the key properties of N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide?
N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 363.82 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 155629770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).